{"text_format":"3","workbook":"xlsx","n_sheets":6,"sheets":["ISSSTY","CRD_AGES","OASIS_Ames","ISSCAN","Micronucleus ISSSTY","OASIS_micronucleus"],"not_rendered":{"defined_names":1},"read":"whole","date_system":"1900"}

{"sheet":"ISSSTY","index":0,"n_rows":7376,"n_cols":36,"rows_kept":2250,"cut":true,"bounds":{"rows_first":1000,"rows_last":250,"rows_between":1000,"halvings":1}}
["CAS","NAME","SMILES","Data","Unit","Duration","Endpoint","Endpoint description","Endpoint position","Database name","QA (CAS-2D)","Assigned SMILES","Author","Metabolic activation","Overall ","Reference source","Strain","Test organisms (species)","Test type","Type of genotoxicity","Type of method","Year","DNA binding by OASIS v.1.1","Score","DNA binding by OECD","Score","Carcinogenicity (genotox and nongenotox) alerts by ISS","Score","DNA alerts for AMES, MN and CA by OASIS v.1.1","Score","in vitro mutagenicity (Ames test) alerts by ISS","Score","in vivo mutagenicity (Micronucleus) alerts by ISS","Score"]
["50-32-8","benzo(a)pyrene;benzo[a]pyrene;benzopyrene;3,4-\"\";3,4-\";benzo[def]chrysene;benzo(a)pyrene (bap);benzo[pqr]tetraphene;benzo[def]chrysene(benzo[a]pyrene)","c12c3c4c(c5c(cc4ccc3ccc1)cccc5)cc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",{"$f":"IF(W2=\"No alert found\",0,1)","v":1},"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition|SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1",{"$f":"IF(Y2=\"No alert found\",0,1)","v":1},"Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",{"$f":"IF(AA2=\"No alert found\",0,1)","v":1},"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",{"$f":"IF(AC2=\"No alert found\",0,1)","v":1},"Polycyclic Aromatic Hydrocarbons",{"$f":"IF(AE2=\"No alert found\",0,1)","v":1},"Polycyclic Aromatic Hydrocarbons",{"$f":"IF(AG2=\"No alert found\",0,1)","v":1}]
["52-90-4","l-cysteine;cysteine;(r)-2-amino-3-mercapto-propionic acid;52-90-4;(<i>r</i>)-form","C(=O)(O)C(N)CS","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Generation of reactive oxygen species|Radical >> Generation of reactive oxygen species >> Thiols",{"$f":"IF(W3=\"No alert found\",0,1)","v":1},"No alert found",0,"No alert found",{"$f":"IF(AA3=\"No alert found\",0,1)","v":0},"Radical|Radical >> Generation of reactive oxygen species|Radical >> Generation of reactive oxygen species >> Thiols",{"$f":"IF(AC3=\"No alert found\",0,1)","v":1},"No alert found",{"$f":"IF(AE3=\"No alert found\",0,1)","v":0},"H-acceptor-path3-H-acceptor",{"$f":"IF(AG3=\"No alert found\",0,1)","v":1}]
["56-55-3","benz(a)anthracene;benz[a]anthracene;benzo(a)anthracene;benzo[a]anthracene;tetraphene","c12c(c3c(cc4c(cccc4)c3)cc1)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition|SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1",1,"Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1]
["59-89-2","morpholine;n-nitrosomorpholine;nitrosomorpholine;4-nitrosomorpholine;morpholine, n-nitroso-;59-89-2;<i>n</i>-nitroso","C1CN(N=O)CCO1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2",1,"Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"Alkyl and aryl N-nitroso groups",1,"Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor",1]
["62-23-7","4-nitrobenzoic acid;p-nitrobenzoic acid;4-nitro-benzoic acid;p-nitro-benzoic acid;benzoic acid, 4-nitro-;benzoic acid, p-nitro-;62-23-7","C(=O)(O)c1ccc(N(=O)=O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["75-09-2","methane, dichloro-;dichloromethane;methylene chloride;methylene chloride [usan];75-09-2","C(Cl)Cl","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes",1,"No alert found",0,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes",1,"Aliphatic halogens",1,"Aliphatic halogen",1]
["95-80-7","1,3-benzenediamine, 4-methyl-;diaminotoluene, 2,4-;2,4-diaminotoluene;2,4-toluenediamine;4-methyl-1,3-benzenediamine;4-methyl-m-phenylenediamine;toluene-2,4-diamine;4-methylbenzene-1,3-diamine;4methylmphenylenediamine(toluene2,4diamine)anditssalts;4-methylphenylene-1,3-diamine","c1(C)c(N)cc(N)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"Primary aromatic amine, hydroxyl amine and its derived esters",1]
["112-24-3","1,2-ethanediamine, n1,n2-bis(2-aminoethyl)-;triethylenetetramine;n,n'-bis-(2-amino-ethyl)-ethane-1,2-diamine;triethylenetetraamine;1,2-ethanediamine, n,n'-bis(2-aminoethyl)-;triethylene tetramine;1,2-bis(2-aminoethyl)aminoethane;trientine;1,2-ethanediamine, n,n’-bis(2-aminoethyl)-;n,n'-bis(2-aminoethyl)ethane-1,2-diamine;n,n'-bis(2-aminoethyl)-1,2-ethanediamine","C(N)CNCCNCCN","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Schiff base formers|Schiff base formers >> Chemicals Activated by P450 to Glyoxal |Schiff base formers >> Chemicals Activated by P450 to Glyoxal  >> Ethylenediamines (including piperazine)",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["116-54-1","dichloroacetic acid methyl ester;acetic acid, 2,2-dichloro-, methyl ester;methyl dichloroacetate;acetic acid, dichloro-, methyl ester;dichloroacetic acid, methyl ester","C(=O)(C(Cl)Cl)OC","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 102","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups",1,"No alert found",0,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups",1,"Aliphatic halogens",1,"Aliphatic halogen|H-acceptor-path3-H-acceptor",1]
["298-12-4","glyoxylic acid;oxo-acetic acid;acetic acid, 2-oxo-;2-oxoacetic acid;acetic acid, oxo-;oxoacetic acid;glyoxyl acid","C(=O)(O)C=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Simple aldehyde (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Simple aldehyde",1,"H-acceptor-path3-H-acceptor|Simple aldehyde",1]
["330-54-1","urea, n'-(3,4-dichlorophenyl)-n,n-dimethyl-;diuron;3-(3,4-dichlorophenyl)-1,1-dimethylurea;urea, n-(3,4-dichlorophenyl)-n,n-dimethyl-;urea, n’-(3,4-dichlorophenyl)-n,n-dimethyl-;n'-(3,4-dichlorophenyl)-n,n-dimethylurea;urea, 3-(3,4-dichlorophenyl)-1,1-dimethyl-;diuron(iso);3-(3,4-dichlorophenyl)-1,1-dimethyl urea;330-54-1","c1(Cl)c(Cl)cc(NC(=O)N(C)C)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic phenylureas",1,"No alert found",0,"SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["505-23-7","1,3-dithiane","C1CCSCS1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0]
["614-00-6","n-methyl-n-nitrosoaniline;nitrosomethylaniline;n-methyl-n-nitrosobenzeneamine;benzenamine, n-methyl-n-nitroso-;aniline, n-methyl-n-nitroso-\"\"\";aniline, n-methyl-n-nitroso-;n-methyl-n-nitrosobenzenamine;aniline, n-methyl-n-nitroso-\";614-00-6","c1(N(C)N=O)ccccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2",1,"Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"Alkyl and aryl N-nitroso groups",1,"Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor",1]
["771-97-1","2,3-diaminonaphthalene;2,3-naphthalenediamine;2,3-naphthylenediamine;naphthalene-2,3-diamine","c1(N)c(N)cc2c(cccc2)c1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["10353-53-4","1,2-epoxy-5-hexene;5,6-epoxyhex-1-ene;2-(but-3-en-1-yl)oxirane;oxirane, 3-butenyl-;oxirane, 3-butenyl- (9ci)","C(=C)CCC1CO1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides",1,"Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Epoxides and aziridines",1,"Epoxides and aziridines",1]
["103-33-3","azobenzene;aminoazobenzene;diazene, diphenyl-;(e)-diphenyldiazene;103-33-3","c1(N=Nc2ccccc2)ccccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic azo",1,"Aromatic diazo (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aromatic diazo",1,"Aromatic diazo|H-acceptor-path3-H-acceptor",1]
["119-90-4","3,3'-dimethoxybenzidine;[1,1’-biphenyl]-4,4’-diamine, 3,3’-dimethoxy-;[1,1'-biphenyl]-4,4'-diamine, 3,3'-dimethoxy-;3,3'-dimethoxybiphenyl-4,4'-diamine;3,3?dimethoxybenzidine(orthodianisidine) anditssalts;(1,1'-biphenyl)-4,4'-diamine, 3,3'-dimethoxy-","c1(-c2cc(OC)c(N)cc2)cc(OC)c(N)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["78-94-4","3-buten-2-one (methyl vinyl ketone);methyl vinyl ketone;methylvinylketone;3-buten-2-one;butenone;but-3-en-2-one;78-94-4","C(C)(=O)C=C","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated ketones",1,"alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"alpha,beta-unsaturated carbonyls",1,"alpha,beta-unsaturated carbonyls",1]
["118-75-2","tetrachloro-1,4-benzoquinone;chloranil;tetrachloro-p-benzoquinone;2,5-cyclohexadiene-1,4-dione, 2,3,5,6-tetrachloro-;2,3,5,6-tetrachloro-1,4-benzoquinone;p-benzoquinone, 2,3,5,6-tetrachloro-;2,3,5,6-tetrachloro-p-benzoquinone;2,3,5,6-tetrachlorocyclohexa-2,5-diene-1,4-dione;118-75-2","C1(Cl)C(=O)C(Cl)=C(Cl)C(=O)C=1Cl","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones|SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives",1,"No alert found",0,"Quinones (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones|SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives",1,"Quinones",1,"H-acceptor-path3-H-acceptor|Quinones",1]
["1629-58-9","1-penten-3-one (ethyl vinyl ketone);ethylvinyl ketone;1-penten-3-one;ethyl vinyl ketone;pent-1-en-3-one","C(=O)(C=C)CC","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated ketones",1,"alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"alpha,beta-unsaturated carbonyls",1,"alpha,beta-unsaturated carbonyls",1]
["26148-68-5","2-amino-9h-pyrido[2,3-b]indole;a-alpha-c;2-amino-9h-pyrido(2,3-b)indole;9h-pyrido[2,3-b]indol-2-amine;9h-pyrido(2,3-b)indole, 2-amino-","c12-c3c(cccc3)Nc1nc(N)cc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Heterocyclic Polycyclic Aromatic Hydrocarbons|Primary aromatic amine,hydroxyl amine and its derived esters",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["107-02-8","acrolein (2-propenal);acrolein;2-propenal;acrylaldehyde;107-02-8","C(=O)C=C","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Michael addition|Michael addition >> alpha, beta-unsaturated carabonyl compounds|Michael addition >> alpha, beta-unsaturated carabonyl compounds >> Alpha, Beta-Unsaturated Aldehydes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Alpha, Beta-Unsaturated Aldehydes",1,"Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated aldehydes",1,"alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Michael addition|Michael addition >> alpha, beta-unsaturated carabonyl compounds|Michael addition >> alpha, beta-unsaturated carabonyl compounds >> Alpha, Beta-Unsaturated Aldehydes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Alpha, Beta-Unsaturated Aldehydes",1,"alpha,beta-unsaturated carbonyls",1,"alpha,beta-unsaturated carbonyls",1]
["3688-53-7","furylfuramide;af-2;2-(2-furyl)-3-(5-no2furyl)acrylamide;furylfuramide (af-2);2-(2-furyl)-3-(5-nitro-2-furyl)acrylamide;2-(2-furyl)-3-(5-nitro-2-furyl) acrylamide;(2z)-2-(furan-2-yl)-3-(5-nitrofuran-2-yl)prop-2-enamide;2-furanacetamide, alpha-((5-nitro-2-furanyl)methylene)- (9ci)","C(N)(=O)C(C1=CC=CO1)=CC1=CC=C(N(=O)=O)O1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Michael addition|Michael addition >> P450 Mediated Activation of Heterocyclic Ring Systems|Michael addition >> P450 Mediated Activation of Heterocyclic Ring Systems >> Furans|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated amides|SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Unsaturated heterocyclic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["1162-65-8","aflatoxin b1;(6ar-cis)-2,3,6a,9a-tetrahydro-4-methoxycyclopenta[c]furo[3',2':4,5]furo[2,3-h][1]benzopyran-1,11-dione;2,3,6a±,9a±-tetrahydro-4-methoxycyclopenta[c]furo[2',3':4,5]furo[2,3-h]chromene-1,11-dione;2,3,6a?,9a?-tetrahydro-4-methoxycyclopenta[c]furo[2',3':4,5]furo[2,3-h]chromene-1,11-dione;4-methoxy-2,3,6a,9a-tetrahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromene-1,11-dione;4-(methyloxy)-2,3,6a,9a-tetrahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromene-1,11-dione;cyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-1,11-dione, 2,3,6a,9a-tetrahydro-4-methoxy-, (6ar,9as)-;1162-65-8;aflatoxin b<sub>1</sub>;(-)-form","C1(=O)C2C(=O)CCC=2c2c(c3c(cc2OC)OC2C3C=CO2)O1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Generation of reactive oxygen species|Radical >> Generation of reactive oxygen species >> Coumarins|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Coumarins",1,"No alert found",0,"Coumarins and Furocoumarins (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Coumarins and Furocoumarins",1,"1,3-dialkoxy-benzene|Coumarins and Furocoumarins|H-acceptor-path3-H-acceptor",1]
["106-92-3","allyl glycidyl ether;oxirane, 2-[(2-propen-1-yloxy)methyl]-;oxirane,  (2-propenyloxy)methyl -;2-propenyloxy-2,3-epoxypropane;oxirane, (2-propenyloxy)methyl -;propane, 1-(allyloxy)-2,3-epoxy-;oxirane, Õ(2-propenyloxy)methylå-\"\"\";allyl 2,3-epoxypropyl ether;oxirane, [(2-propenyloxy)methyl]-;oxirane, Х(2-propenyloxy)methylе-;2-[(allyloxy)methyl]oxirane;oxirane, Х(2-propenyloxy)methylе-\";propane, 1-(allyloxy)-2,3-epoxy- (8ci);106-92-3","C(=C)COCC1CO1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides",1,"Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Epoxides and aziridines",1,"Epoxides and aziridines|H-acceptor-path3-H-acceptor",1]
["117-79-3","9,10-anthracenedione, 2-amino-;2-aminoanthraquinone;2-amino-anthraquinone;anthraquinone, 2-amino-;2-aminoanthracene-9,10-dione;2-amino-9,10-anthracenedione;2-amino-9,10-anthraquinone","c12C(=O)c3c(C(=O)c1cc(N)cc2)cccc3","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Quinones (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Primary aromatic amine,hydroxyl amine and its derived esters|Quinones",1,"H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters|Quinones",1]
["97-56-3","2-methyl-4-[(2-methylphenyl)azo]benzenamine;o-aminoazotoluene;ortho-aminoazotoluene;2-amino-5-azotoluene [o-aminoazotoluene];solvent yellow 3;4-o-tolylazo-o-toluidine;benzenamine, 2-methyl-4-[(2-methylphenyl)azo]-;2-methyl-4-[(e)-(2-methylphenyl)diazenyl]aniline;4otolylazootoluidine;c.i. solvent yellow 3 (8ci)","c1(N)c(C)cc(N=Nc2c(C)cccc2)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic azo|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Aromatic diazo (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Aromatic diazo|Primary aromatic amine,hydroxyl amine and its derived esters",1,"Aromatic diazo|H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["92-67-1","4-aminobiphenyl (4-phenylaniline);4-aminobiphenyl;biphenyl-4-ylamine;4-aminodiphenyl;4-biphenylamine;4-amino-1,1’-biphenyl [4-aminobiphenyl];4-amino-1,1'-biphenyl;4-aminobiphenyl\"\";biphenyl-4-ylamine\";[1,1'-biphenyl]-4-amine;biphenyl-4-amine;biphenyl4ylamine (4aminobiphenyl)anditssalts;4-aminobiphenyl\";(1,1'-biphenyl)-4-amine","c1(-c2ccc(N)cc2)ccccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100(1,8-DNP6)","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"Primary aromatic amine, hydroxyl amine and its derived esters",1]
["320-67-2","5-azacytidine;azacitidine;azacitidine [usan:inn];2-(?-d-ribofuranosyl)-4-amino-1,3,5-triazin-2-one;4-amino-1-(beta-d-ribofuranosyl)-1,3,5-triazin-2(1h)-one;4-amino-1-beta-d-ribofuranosyl-1,3,5-triazin-2(1h)-one","C1(=O)N=C(N)N=CN1C1C(O)C(O)C(CO)O1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor|Oxolane",1]
["446-86-6","azathioprine;6-[(1-methyl-4-nitro-1h-imidazol-5-yl)thio]-7h-purine","c1(SC2=C(N(=O)=O)N=CN2C)c2c(N=CN2)ncn1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Unsaturated heterocyclic nitro",1,"Imidazole, benzimidazole (Nongenotox)|Nitro-aromatic (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["98-07-7","benzotrichloride;trichlorotoluene;alpha, alpha, alpha-trichlorotoluene (trichloromethylbenzene);±,±,±-trichlorotoluene;?,?,?-trichlorotoluene;benzene, (trichloromethyl)-;toluene, .alpha.,.alpha.,.alpha.-trichloro-;(trichloromethyl)benzene;?,?,?trichlorotoluene;(alpha),(alpha),(alpha)-trichlorotoluene;α,α,α-trichlorotoluene;toluene, alpha,alpha,alpha-trichloro-;98-07-7","C(Cl)(Cl)(Cl)c1ccccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes",1,"Alkyl halides (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups",1,"No alert found",0,"No alert found",0]
["542-88-1","bis(chloromethyl) ether;bis-(chloromethyl)ether;bis(chloromethyl)ether;oxybis[chloromethane];methane, oxybis[chloro-;oxybis(chloromethane);oxybis[chloromethane],bis(chloromethyl) ether;methane, oxybis chloro-;ether, bis(chloromethyl);methane, oxybisХchloro-;542-88-1","C(Cl)OCCl","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","G 46","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Alpha-Haloethers|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Heteroatom|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alpha-Haloethers",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Alpha halo ethers (including alpha halo thioethers)",1,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Alpha-Haloethers|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Heteroatom|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alpha-Haloethers",1,"Aliphatic halogens",1,"Aliphatic halogen",1]
["2784-94-3","hc blue no. 1;hc blue no. 1 (purified);hc blue 1;2,2'-[[4-(methylamino)-3-nitrophenyl]imino]bisethanol;ethanol, 2,2'-[[4-(methylamino)-3-nitrophenyl]imino]bis-;2,2'-{[4-(methylamino)-3-nitrophenyl]imino}diethanol;ethanol, 2,2'-((4-(methylamino)-3-nitrophenyl)imino)bis-","c1(NC)c(N(=O)=O)cc(N(CCO)CCO)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro|SN1 >> Nitrenium Ion formation >> Secondary aromatic amine|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine",1,"Aromatic mono-and dialkylamine (Genotox)|Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Aromatic mono-and dialkylamine|Nitro-aromatic",1,"Aromatic mono- and dialkylamine|H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["74-96-4","bromoethane;ethyl bromide;ethane, bromo-;bromoethane(ethyl bromide);ethylbromide;74-96-4","C(C)Br","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Monohaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Monohaloalkanes|SN2 >> Ring opening SN2 reaction|SN2 >> Ring opening SN2 reaction >> Monohaloalkanes",1,"SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides",1,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Monohaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Monohaloalkanes|SN2 >> Ring opening SN2 reaction|SN2 >> Ring opening SN2 reaction >> Monohaloalkanes",1,"Aliphatic halogens",1,"Aliphatic halogen",1]
["540-51-2","ethylene bromohydrin;2-bromo-1-ethanol;bromoethanol;2-bromoethanol;ethanol, 2-bromo-;ethylene bromohydrin  (2-bromoethanol)","C(Br)CO","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Elimination (E2)|Elimination (E2) >> E2 elimination reaction with epoxide formation|Elimination (E2) >> E2 elimination reaction with epoxide formation >> Haloalcohols|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Haloalcohols",1,"SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides",1,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Elimination (E2)|Elimination (E2) >> E2 elimination reaction with epoxide formation|Elimination (E2) >> E2 elimination reaction with epoxide formation >> Haloalcohols|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Haloalcohols",1,"Aliphatic halogens",1,"Aliphatic halogen",1]
["133-06-2","captan;1h-isoindole-1,3(2h)-dione, 3a,4,7,7a-tetrahydro-2-[(trichloromethyl)thio]-;captan 90-concentrate  (solid);2-[(trichloromethyl)sulfanyl]-3a,4,7,7a-tetrahydro-1h-isoindole-1,3(2h)-dione;n(trichloromethylthio)4cyclohexene1,2dicarboximide(captaniso);3a,4,7,7a-tetrahydro-2-[(trichloromethyl)thio]-1h-isoindole-1,3-(2h)-dione;captan/hexachlorobenzene mixture;captan/zineb mixture;captan (thpi degradate);captan (thpam metabolite);2-[(trichloromethyl)thio]-3a,4,7,7a-tetrahydro-1h-isoindole-1,3(2h)-dione;captans;1h-isoindole-1,3(2h)-dione, 3a,4,7,7a-tetrahydro-2-((trichloromethyl)thio)-;133-06-2","C1(=O)C2C(C(=O)N1SC(Cl)(Cl)Cl)CC=CC2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","G 46","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Heteroatom",1,"No alert found",0,"Alkyl halides (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Heteroatom",1,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["302-17-0","chloral hydrate;choral hydrate;2,2,2-trichloro-1,1-ethanediol;1,1-ethanediol, 2,2,2-trichloro-;2,2,2-trichloroethane-1,1-diol;2,2,2trichloroethane1,1diol","C(Cl)(Cl)(Cl)C(O)O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes",1,"No alert found",0,"Alkyl halides (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes",1,"No alert found",0,"No alert found",0]
["57-74-9","chlordane;1,2,4,5,6,7,8,8-octachloro-2,3,3a,4,7,7a-hexahydro-4,7-methano-1h-indene;chlordane , pur;1,2,4,5,6,7,8,8-octachloro-2,3,3a,4,7,7a-hexahydro-1h-4,7-methanoindene;4,7-methano-1h-indene, 1,2,4,5,6,7,8,8-octachloro-2,3,3a,4,7,7a-hexahydro-;chlordane,pur;chlordane/heptachlor mixture;chlordane/petroleum distillate mixture;chlordane/dcpa mixture","C12(Cl)C(Cl)(Cl)C(Cl)(C(Cl)=C1Cl)C1C(Cl)C(Cl)CC21","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation >> Vicinal Dihaloalkanes|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives",1,"SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> 1,2-Dihaloalkanes",1,"(Poly) Halogenated Cycloalkanes (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives",1,"No alert found",0,"No alert found",0]
["97-00-7","benzene, 1-chloro-2,4-dinitro-;1-chloro-2,4-dinitrobenzene;2,4-dinitrochlorobenzene;2,4-dinitrochlorobenzene (dncb);2,4-dinitrochlorobenzene  (dncb);2,4-dinitrochlorobenzen dncb","c1(Cl)c(N(=O)=O)cc(N(=O)=O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"Nitro-aromatic",1]
["88-73-3","benzene, 1-chloro-2-nitro-;chloro-2-nitrobenzene, 1-;o-chloronitrobenzene;2-chloro-1-nitrobenzene;1-chloro-2-nitrobenzene;88-73-3","c1(Cl)c(N(=O)=O)cccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"Nitro-aromatic",1]
["5131-60-2","4-chloro-m-phenylenediamine;4-chloro-meta-phenylenediamine;1,3-benzenediamine, 4-chloro-;4-chlorobenzene-1,3-diamine;m-phenylenediamine, 4-chloro-","c1(Cl)c(N)cc(N)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"Primary aromatic amine, hydroxyl amine and its derived esters",1]
["95-83-0","4-chloro-o-phenylenediamine;4-chloro-benzene-1,2-diamine;4-chloro-orto-phenylenediamine;4-chloro-1,2-benzenediamine;4-chloro-1,2-diaminobenzene;4-chloro-o-phenylendiamine;2-amino-4-chloroaniline;1,2-benzenediamine, 4-chloro-;o-phenylenediamine, 4-chloro-;4-chlorobenzene-1,2-diamine","c1(N)c(N)cc(Cl)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["107-20-0","chloroacetaldehyde;acetaldehyde, chloro-;107-20-0","C(=O)CCl","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups",1,"Schiff base formers|Schiff base formers >> Direct Acting Schiff Base Formers|Schiff base formers >> Direct Acting Schiff Base Formers >> Mono aldehydes",1,"Aliphatic halogens (Genotox)|Simple aldehyde (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups",1,"Aliphatic halogens|Simple aldehyde",1,"Aliphatic halogen|Simple aldehyde",1]
["75-45-6","chlorodifluoromethane;chloro(difluoro)methane;methane, chlorodifluoro-","C(F)(F)Cl","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aliphatic halogens",1,"Aliphatic halogen",1]
["76-06-2","chloropicrin;methane, trichloronitro-;trichloronitromethane;trichloro(nitro)methane;trichloronitromethane (chloropicrine);chlorpicrin;76-06-2","C(Cl)(Cl)(Cl)N(=O)=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups",1,"No alert found",0,"No alert found",0,"Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups",1,"No alert found",0,"No alert found",0]
["590-21-6","1-chloropropene;1-propene, 1-chloro-;1-chloro-1-propene;1-chloroprop-1-ene","C(Cl)=CC","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Monohaloalkene (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Monohaloalkene",1,"Monohaloalkene",1]
["91-64-5","2h-1-benzopyran-2-one;coumarin;coumarin\"\"\";2h-chromen-2-one;courmarin;coumaric acid;benzo-alpha-pyrone;coumarin\";2<i>h</i>-1-benzopyran-2-one","c12c(C=CC(=O)O1)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Generation of reactive oxygen species|Radical >> Generation of reactive oxygen species >> Coumarins|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Coumarins",1,"SN2|SN2 >> P450 Mediated Epoxidation|SN2 >> P450 Mediated Epoxidation >> Coumarins",1,"Coumarins and Furocoumarins (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Generation of reactive oxygen species|Radical >> Generation of reactive oxygen species >> Coumarins|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Coumarins",1,"Coumarins and Furocoumarins",1,"Coumarins and Furocoumarins|H-acceptor-path3-H-acceptor",1]
["120-71-8","benzenamine, 2-methoxy-5-methyl-;1-amino-2-methoxy-5-methyl-benzene;p-cresidine;2-methoxy-5-methylbenzenamine;para-cresidine;6-methoxy-m-toluidine;o-anisidine, 5-methyl-;2-methoxy-5-methylaniline;6methoxymtoluidine;(pcresidine);120-71-8","c1(OC)c(N)cc(C)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["50-18-0","cyclophosphamide;2h-1,3,2-oxazaphosphorin-2-amine, n,n-bis(2-chloroethyl)tetrahydro-, 2-oxide;n,n-bis(2-chloroethyl)-1,3,2-oxazaphosphinan-2-amine 2-oxide;cyclophosphamide(inn)anditssalts;n,n-bis(2-chloroethyl)tetrahydro-2h-1,3,2-oxazaphosphorin-2-amine 2-oxide;2h-1,3,2-oxazaphosphorin-2-amine, n,n-bis(2-chloroethyl)tetrahydro-, 2-oxide (9ci)","C1CCNP(=O)(N(CCCl)CCCl)O1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Nitrogen Mustards|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> Mustards",1,"S or N mustard (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"S or N mustard",1,"H-acceptor-path3-H-acceptor|S or N mustard",1]
["2303-16-4","diallate;di-allate;s-[(2z)-2,3-dichloroprop-2-en-1-yl] diisopropylcarbamothioate;carbamothioic acid, bis(1-methylethyl)-, s-(2,3-dichloro-2-propenyl) ester;bis(1-methethyl)-carbamothioic acid, s-(2,3-dichloro-2-propenyl)ester","C(Cl)(=CCl)CSC(=O)N(C(C)C)C(C)C","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"Alkyl carbamate and thiocarbamate (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Alkyl carbamate and thiocarbamate",1,"Alkyl carbamate and thiocarbamate|H-acceptor-path3-H-acceptor",1]
["53-70-3","dibenz[a,h]anthracene;dibenzo(a,h)anthracene;dibenz(a,h)anthracene;dibenzo[a,h]anthracene;1,2,5,6-dibenzanthracene;dibenzathracene;benzo[k]tetraphene","c12c(c3c(cc4c5c(ccc4c3)cccc5)cc1)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1",1,"Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1]
["96-12-8","propane, 1,2-dibromo-3-chloro-;dibromochloropropane;1,2-dibromo-3-chloropropane;1,2dibromo3chloropropane;96-12-8","C(Br)(CCl)CBr","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation >> Vicinal Dihaloalkanes",1,"SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> 1,2-Dihaloalkanes",1,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aliphatic halogens",1,"Aliphatic halogen",1]
["10318-26-0","dibromodulcitol;mitolactol;1,6-dibromo-1,6-dideoxy-d-galactitol","C(O)(C(O)C(O)C(O)CBr)CBr","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Elimination (E2)|Elimination (E2) >> E2 elimination reaction with epoxide formation|Elimination (E2) >> E2 elimination reaction with epoxide formation >> Haloalcohols|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Haloalcohols",1,"SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides",1,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Elimination (E2)|Elimination (E2) >> E2 elimination reaction with epoxide formation|Elimination (E2) >> E2 elimination reaction with epoxide formation >> Haloalcohols|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Haloalcohols",1,"Aliphatic halogens",1,"Aliphatic halogen|H-acceptor-path3-H-acceptor",1]
["106-93-4","ethane, 1,2-dibromo-;1,2-dibromoethane;dibromoethane, 1,2-;ethylene dibromide;1,2,dibromoethane;1,2dibromoethane;106-93-4","C(Br)CBr","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation >> Vicinal Dihaloalkanes",1,"SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> 1,2-Dihaloalkanes",1,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aliphatic halogens",1,"Aliphatic halogen",1]
["87-56-9","mucochloric acid;alpha,beta-dichloro-beta-formylacrylic acid;2-butenoic acid, 2,3-dichloro-4-oxo-, (2z)-;2-butenoic acid, 2,3-dichloro-4-oxo-, (z)-;malealdehydic acid, dichloro-;(2z)-2,3-dichloro-4-oxobut-2-enoic acid;2-butenoic acid, 2,3-dichloro-4-oxo-, (z)- (9ci)","C(=O)(O)C(Cl)=C(Cl)C=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Acylation|Acylation >> Acyl transfer via nucleophilic addition reaction|Acylation >> Acyl transfer via nucleophilic addition reaction >> Haloalkenes with Electron-Withdrawing Groups|Michael addition|Michael addition >> alpha, beta-unsaturated carabonyl compounds|Michael addition >> alpha, beta-unsaturated carabonyl compounds >> Alpha, Beta-Unsaturated Aldehydes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Alpha, Beta-Unsaturated Aldehydes|SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Haloalkenes with Electron-Withdrawing Groups|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Haloalkenes with Electron-Withdrawing Groups|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives",1,"No alert found",0,"alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Acylation|Acylation >> Acyl transfer via nucleophilic addition reaction|Acylation >> Acyl transfer via nucleophilic addition reaction >> Haloalkenes with Electron-Withdrawing Groups|Michael addition|Michael addition >> alpha, beta-unsaturated carabonyl compounds|Michael addition >> alpha, beta-unsaturated carabonyl compounds >> Alpha, Beta-Unsaturated Aldehydes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Alpha, Beta-Unsaturated Aldehydes|SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Haloalkenes with Electron-Withdrawing Groups|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Haloalkenes with Electron-Withdrawing Groups|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives",1,"alpha,beta-unsaturated carbonyls",1,"alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor",1]
["110-57-6","trans-1,4-dichloro-2-butene;trans-1,4-dichlorobutene-2;(e)-1,4-dichloro-2-butene;1,4-dichloro-2-butene(trans);1,4-dichloro-2-butene;2-butene, 1,4-dichloro-, (e)-;\"\"1,4-dichloro-2-butene;2-butene, 1,4-dichloro-, (e)-\"\"\";trans-2,3-dichlorobut-2-ene;2-butene, 1,4-dichloro-, (2e)-;1,4-dichloro-trans-2-butene;(2e)-1,4-dichlorobut-2-ene","C(=CCCl)CCl","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality, Conflict","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups",1,"SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides",1,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups",1,"Aliphatic halogens",1,"Aliphatic halogen",1]
["62-73-7","dichlorvos;phosphoric acid, 2,2-dichloroethenyl dimethyl ester;phosphoric acid, 2,2-dichlorovinyl dimethyl ester;2,2-dichlorovinyl dimethyl phosphate;phosphoric acid 2,2-dichloroethenyl dimethyl ester;2,2-dichloroethenyl dimethyl phosphate;62-73-7","C(Cl)(Cl)=COP(=O)(OC)OC","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"No alert found",0,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid|H-acceptor-path3-H-acceptor",1]
["101-90-6","diglycidyl resorcinol ether;diglycidyl resorcinol ether, technical grade;oxirane, 2,2'- 1,3-phenylenebis(oxymethylene) bi;diglycidyl resorcinol ether (dgre);oxirane, 2,2'- 1,3-phenylenebis(oxymethylene) bis-;benzene, m-bis(2,3-epoxypropoxy)-;oxirane, 2,2'-Õ1,3-phenylenebis(oxymethylene)åbis-\"\"\";m-bis(2,3-epoxypropoxy)benzene;oxirane, 2,2’-[1,3-phenylenebis(oxymethylene)]bis-;oxirane, 2,2'-[1,3-phenylenebis(oxymethylene)]bis-;2,2'-[1,3-phenylenebis(oxymethylene)]dioxirane;resorcinoldiglycidylether;oxirane, 2,2'-Х1,3-phenylenebis(oxymethylene)еbis-;diglycidyl resorcinol ether (technical grade);1,3-bis(2,3-epoxypropoxy)benzene;oxirane, 2,2'-Х1,3-phenylenebis(oxymethylene)еbis-\";oxirane, 2,2'-(1,3-phenylenebis(oxymethylene))bis-;101-90-6","c1(OCC2CO2)cc(OCC2CO2)ccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides",1,"Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Epoxides and aziridines",1,"1,3-dialkoxy-benzene|Epoxides and aziridines|H-acceptor-path3-H-acceptor",1]
["828-00-2","dimethoxane;1,3-dioxan-4-ol, 2,6-dimethyl-, 4-acetate;dimethoxane, commercial grade;2,6-dimethyl-1,3-dioxan-4-ol acetate;dimethoxane commercial grade;2,6-dimethyl-1,3-dioxan-4-yl acetate;1,3-dioxan-4-ol, 2,6-dimethyl-, acetate;m-dioxan-4-ol, 2,6-dimethyl-, acetate;2,6dimethyl1,3dioxan4yl acetate (dimethoxane);2,6-dimethyl-1,3-dioxan-4-ol, acetate;dimethoxane (bioban-dxn);6-acetoxy-2,4-dimethyl-1,3-dioxane;acetic acid, ester with 2,6-dimethyl-m-dioxan-4-ol;828-00-2","C(C)(=O)OC1CC(C)OC(C)O1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Specific Acetate Esters|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Specific Acetate Esters|SN2|SN2 >> Acylating agents|SN2 >> Acylating agents >> Specific Acetate Esters|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Specific Acetate Esters",1,"No alert found",0,"No alert found",0,"Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Specific Acetate Esters|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Specific Acetate Esters|SN2|SN2 >> Acylating agents|SN2 >> Acylating agents >> Specific Acetate Esters|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Specific Acetate Esters",1,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["57-97-6","7,12-dimethylbenz[a]anthracene;7,12-dimethylbenz(a)anthracene;7,12-dimethyl-1,2-benz(a)anthracene;7,12-dime-benz(a)anthracene;9,10-dimethyl-1,2-benzanthracene;7,12-dimethyl benzanthracene;benz[a]anthracene, 7,12-dimethyl-;dimethylbenz[a]anthracene (dmba);7,12-dimethyltetraphene;7,12-dimethylbenz[alpha]anthracene;benz(a)anthracene, 7,12-dimethyl-;57-97-6","c12c(c3c(C)c4c(c(C)c3cc1)cccc4)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition|SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1",1,"Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1]
["79-44-7","dimethylcarbamoyl chloride;dimethylcarbamyl chloride;carbamic chloride, dimethyl-;carbamoyl chloride, dimethyl-;dimethylcarbamic chloride;dimethylcarbamoylchloride;79-44-7","C(=O)(Cl)N(C)C","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Acylation|Acylation >> Direct Addition of an Acyl Halide|Acylation >> Direct Addition of an Acyl Halide >> Alkyl carbamyl halides|SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"Acyl halides (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Acyl halides",1,"Acyl halides|H-acceptor-path3-H-acceptor",1]
["121-14-2","2,4-dinitrotoluene;dinitrotoluene, 2,4-;2,4-dinitrotoluene (containing 1.0-1.5% 2,6-dinitrotoluene);2,4-dinitrotoluene (containing 0.5% 2,6-dinitrotoluene);2,4-dinitrotoluene, practical grade;benzene, 1-methyl-2,4-dinitro-;2,4-dinitro-1-methylbenzene;2,4-dinitrotoluene (purified);toluene, 2,4-dinitro-;1-methyl-2,4-dinitrobenzene;2,4dinitrotoluene;dinitrotoluene,technical grade","c1(C)c(N(=O)=O)cc(N(=O)=O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"Nitro-aromatic",1]
["106-89-8","epichlorohydrin;oxirane, 2-(chloromethyl)-;1-chloro-2,3-epoxypropane;(chloromethyl)oxirane;epichlorhydrin;(chloromethyl) oxirane;oxirane, (chloromethyl)-;propane, 1-chloro-2,3-epoxy-;2-(chloromethyl)oxirane;1chloro2,3epoxypropane (epichlorohydrin);106-89-8","C1(CCl)CO1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides",1,"Aliphatic halogens (Genotox)|Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Aliphatic halogens|Epoxides and aziridines",1,"Aliphatic halogen|Epoxides and aziridines",1]
["106-88-7","1,2-epoxybutane;oxirane, 2-ethyl-;1,2-butyleneoxide;1,2-butylene oxide;2-ethyl-oxirane;oxirane, ethyl-;epoxybutane;butane, 1,2-epoxy-;2-ethyloxirane;1,2epoxybutane;106-88-7","C1(CC)CO1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides",1,"Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Epoxides and aziridines",1,"Epoxides and aziridines",1]
["151-56-4","ethyleneimine;aziridine;ethylenimine;151-56-4","C1CN1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Aziridines",1,"Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Epoxides and aziridines",1,"Epoxides and aziridines",1]
["75-21-8","ethylene oxide;oxirane;ethyleneoxy;ethyleneoxide;75-21-8","C1CO1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",{"$f":"IF(W67=\"No alert found\",0,1)","v":1},"SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides",1,"Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity",{"$f":"IF(AA67=\"No alert found\",0,1)","v":1},"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",{"$f":"IF(AC67=\"No alert found\",0,1)","v":1},"Epoxides and aziridines",{"$f":"IF(AE67=\"No alert found\",0,1)","v":1},"Epoxides and aziridines",{"$f":"IF(AG67=\"No alert found\",0,1)","v":1}]
["3570-75-0","nifurthiazole;formic acid 2-[4-(5-nitro-2-furyl)-2-thiazolyl]hydrazide;n'-[4-(5-nitrofuran-2-yl)-1,3-thiazol-2-yl]formic hydrazide;hydrazinecarboxaldehyde, 2-(4-(5-nitro-2-furanyl)-2-thiazolyl)-","C1(C2=CC=C(N(=O)=O)O2)=CSC(NNC=O)=N1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Unsaturated heterocyclic nitro",1,"Hydrazine (Genotox)|Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Hydrazine|Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Hydrazine|Nitro-aromatic",1]
["67730-11-4","2-amino-6-methyldipyrido[1,2-a:3',2'-d]imidazole;glu-p-1;2-amino-6-methyldipyrido(1,2-a:3',2'-d)imidazole;glu-p-1\"\"\";6-methylimidazo[1,2-a:5,4-b']dipyridin-2-amine","C12C(C)=CC=CN1c1c(ccc(N)n1)N=2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Imidazole, benzimidazole (Nongenotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"No alert found",0,"Heterocyclic Polycyclic Aromatic Hydrocarbons|Primary aromatic amine,hydroxyl amine and its derived esters",1,"H-acceptor-path3-H-acceptor|Heterocyclic Polycyclic Aromatic Hydrocarbons|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["67730-10-3","2-aminodipyrido[1,2-a:3',2'-d]imidazole;glu-p-2;2-aminodipyrido(1,2-a:3',2'-d)imidazole;glu-p-2\"\"\";imidazo[1,2-a:5,4-b']dipyridin-2-amine","c12c(ccc(N)n1)N=C1C=CC=CN21","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Imidazole, benzimidazole (Nongenotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"No alert found",0,"Heterocyclic Polycyclic Aromatic Hydrocarbons|Primary aromatic amine,hydroxyl amine and its derived esters",1,"H-acceptor-path3-H-acceptor|Heterocyclic Polycyclic Aromatic Hydrocarbons|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["2757-90-6","agaritine;beta-n-[gamma-l(+)-glutamyl]-4-hydroxymethylphenylhydrazine;2-amino-5-{2-[4-(hydroxymethyl)phenyl]hydrazino}-5-oxopentanoic acid;l-glutamic acid, 5-(2-(4-(hydroxymethyl)phenyl)hydrazide) (9ci)","C(=O)(O)C(N)CCC(=O)NNc1ccc(CO)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 104","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Hydrazine",1,"H-acceptor-path3-H-acceptor|Hydrazine",1]
["556-52-5","glycidol;2-oxiranemethanol;oxiranemethanol;2,3-epoxypropan-1-ol;1-propanol, 2,3-epoxy-;oxiran-2-ylmethanol;2,3epoxypropan1ol(glycidol)","C1(CO)CO1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides",1,"Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Epoxides and aziridines",1,"Epoxides and aziridines|H-acceptor-path3-H-acceptor",1]
["26049-71-8","2-hydrazino-4-(4-aminophenyl)thiazole;2-hydrazino-4-(p-aminophenyl) thiazole;2-hydrazino-4-(p-aminophenyl)thiazole;4-(2-hydrazino-1,3-thiazol-4-yl)aniline;thiazole, 4-(p-aminophenyl)-2-hydrazino-","C1(c2ccc(N)cc2)=CSC(NN)=N1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Nucleophilic addition|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization >> Hydrazine Derivatives|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Hydrazine Derivatives|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Hydrazine|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Hydrazine (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Nucleophilic addition|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization >> Hydrazine Derivatives|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Hydrazine Derivatives|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Hydrazine|Primary aromatic amine,hydroxyl amine and its derived esters",1,"H-acceptor-path3-H-acceptor|Hydrazine|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["53-95-2","n-hydroxy-2-(acetylamino)fluorene;n-hydroxy-2-acetylaminofluorene;n-9h-fluoren-2-yl-n-hydroxyacetamide;acetamide, n-9h-fluoren-2-yl-n-hydroxy- (9ci)","c12-c3c(cc(N(O)C(C)=O)cc3)Cc1cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> N-hydroxylamines",1,"No alert found",0,"Polycyclic Aromatic Hydrocarbons (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> N-hydroxylamines",1,"Polycyclic Aromatic Hydrocarbons|Primary aromatic amine,hydroxyl amine and its derived esters",1,"H-acceptor-path3-H-acceptor|Polycyclic Aromatic Hydrocarbons|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["148-24-3","8-quinolinol;oxyquinoline [usan];8-hydroxyquinoline;quinolin-8-ol;hydroxyquinoline, 8-;hydroxy8quinolineanditssulphate,except fortheuses providedfor inno51inannex iii;148-24-3","c1(O)c2c(cccn2)ccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["542-56-3","isobutyl nitrite;nitrous acid, 2-methylpropyl ester;2-methylpropyl nitrite;542-56-3","C(C)(C)CON=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical decomposition|Radical >> Radical decomposition >> Alkylnitrites|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Alkylnitrites|SN1|SN1 >> Nitrosation|SN1 >> Nitrosation >> Alkylnitrites",1,"SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Alkyl nitrates",1,"Alkyl nitrite (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical decomposition|Radical >> Radical decomposition >> Alkylnitrites|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Alkylnitrites|SN1|SN1 >> Nitrosation|SN1 >> Nitrosation >> Alkylnitrites",1,"Alkyl nitrite",1,"Alkyl nitrite|H-acceptor-path3-H-acceptor",1]
["148-82-3","melphalan;4-(bis(2-chloroethyl)amino)-l-phenylalanine;melphalan [usan:ban:inn:jan];melphalan [sarkolysin] [phenyl alanine mustard];l-phenylalanine, 4-[bis(2-chloroethyl)amino]-;4-[bis(2-chloroethyl)amino]-l-phenylalanine;alanine, 3-(p-(bis(2-chloroethyl)amino)phenyl)-, l-;148-82-3","C(=O)(O)C(N)Cc1ccc(N(CCCl)CCCl)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Nitrogen Mustards",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine|SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> Mustards",1,"S or N mustard (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"S or N mustard",1,"H-acceptor-path3-H-acceptor|S or N mustard",1]
["3544-23-8","3-methoxy-4-aminoazobenzene;3-methoxy-4-aminoazo benzene;2-methoxy-4-(phenylazo)benzenamine;2-(methyloxy)-4-[(e)-phenyldiazenyl]aniline;benzenamine, 2-methoxy-4-(phenylazo)- (9ci)","c1(N)c(OC)cc(N=Nc2ccccc2)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic azo|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Aromatic diazo (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aromatic diazo|Primary aromatic amine,hydroxyl amine and its derived esters",1,"Aromatic diazo|H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["129-15-7","2-methyl-1-nitroanthraquinone;2-methyl-1-nitro-anthraquinone;1-nitro-2-methylanthraquinone;2-methyl-1-nitroanthracene-9,10-dione;2-methyl-1-nitro-9,10-anthraquinone;9,10-anthracenedione, 2-methyl-1-nitro- (9ci)","c12C(=O)c3c(C(=O)c1c(N(=O)=O)c(C)cc2)cccc3","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Radical >> Radical mechanism by ROS formation >> Quinones|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"No alert found",0,"Quinones (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Radical >> Radical mechanism by ROS formation >> Quinones|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Quinones",1,"H-acceptor-path3-H-acceptor|Quinones",1]
["298-00-0","parathion-methyl [bsi:iso];parathion-methyl (technical);parathion-methyl (penncap-m);methyl parathion;parathion-methyl;o,o-dimethyl o-(4-nitrophenyl) phosphorothioate;phosphorothioic acid, o,o-dimethyl o-(4-nitrophenyl)ester;parathion methyl;methylparathion;phosphorothioic acid, o,o-dimethyl o-(4-nitrophenyl) ester;o,o-dimethyl o-(4-nitrophenyl) ester phosphorothioic acid;methyl parathion/epn;methyl parathion/xylene;methyl parathion penncap m;methyl parathion pencap m;o,o-dimethyl o-(4-nitrophenyl) thiophosphate;298-00-0","c1(OP(=S)(OC)OC)ccc(N(=O)=O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"Nitro-aromatic",1,"Nitro-aromatic",1]
["443-48-1","metronidazole;metronidazol;1h-imidazole-1-ethanol, 2-methyl-5-nitro-;2-(2-methyl-5-nitro-1h-imidazol-1-yl)ethanol;2-methyl-5-nitro-1h-imidazole-1-ethanol","C1(N(=O)=O)=CN=C(C)N1CCO","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Unsaturated heterocyclic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["1068-57-1","monoacetyl hydrazine;acetic acid hydrazide;monoacetylhydrazine;acetohydrazide;acetic acid, hydrazide\"\"\";acetic acid, hydrazide","C(C)(=O)NN","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Nucleophilic addition|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization >> Hydrazine Derivatives|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Hydrazine Derivatives",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Hydrazine",1,"Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Nucleophilic addition|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization >> Hydrazine Derivatives|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Hydrazine Derivatives",1,"Hydrazine",1,"H-acceptor-path3-H-acceptor|Hydrazine",1]
["91-59-8","2-naphthylamine;2-naphthalenamine;2-amino-naphthalene;naphthalen-2-amine;1and2naphthylaminesandtheirsalts","c12c(cc(N)cc1)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"Primary aromatic amine, hydroxyl amine and its derived esters",1]
["59-87-0","nitrofurazone;5-nitro-2-furaldehyde semicarbazone;nitrofural;hydrazinecarboxamide, 2-[(5-nitro-2-furanyl)methylene]-;(2e)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinecarboxamide;2-((5-nitro-2-furanyl)methylene)hydrazine carboxamide;5-nitrofuran-2-carbaldehyde semicarbazone;hydrazinecarboxamide, 2-((5-nitro-2-furanyl)methylene)-;59-87-0","C1(C=NNC(N)=O)=CC=C(N(=O)=O)O1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Unsaturated heterocyclic nitro",1,"Hydrazine (Genotox)|Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Hydrazine|Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Hydrazine|Nitro-aromatic",1]
["24554-26-5","n-(4-(5-nitro-2-furyl)-2-thiazolyl)formamide;n-[4-(5-nitro-2-furyl)-2-thiazolyl]formamide;n-(4-(5-nitro-furanyl)-2­thiazolyl)formamide;n-[4-(5-nitrofuran-2-yl)-1,3-thiazol-2-yl]formamide;formamide, n-(4-(5-nitro-2-furanyl)-2-thiazolyl)- (9ci)","C1(C2=CC=C(N(=O)=O)O2)=CSC(NC=O)=N1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Acylation|Acylation >> P450 Mediated Activation to Isocyanates or Isothiocyanates|Acylation >> P450 Mediated Activation to Isocyanates or Isothiocyanates >> Formamides|SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Unsaturated heterocyclic nitro",1,"Aromatic N-acyl amine (Genotox)|Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Aromatic N-acyl amine|Nitro-aromatic",1,"Aromatic N-acyl amine|H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["5307-14-2","2-nitro-p-phenylenediamine;2-nitro-1,4-phenylenediamine;1,4-benzenediamine, 2-nitro-;2-nitro-4-phenylenediamine;2-nitro-p-phenylenediamine [2-nitro-1,4-phenylenediamine];nitro-p-phenylenediamine, 2-;p-phenylenediamine, 2-nitro-;2-nitrobenzene-1,4-diamine;2nitropphenylenediamine anditssalts,whenusedas asubstanceinhairdye products;2-nitro-1,4-phenylendiamine;2-nitro-1,4-phenylene diamine","c1(N)c(N(=O)=O)cc(N)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Nitro-aromatic (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic|Primary aromatic amine,hydroxyl amine and its derived esters",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["99-56-9","4-nitro-o-phenylenediamine;4-nitro-benzene-1,2-diamine;4-nitro-orto-phenylenediamine;2-amino-4-nitroaniline;1,2-diamino-4-nitrobenzene;4-nitro-o-phenylenediamine 4-nitro-1,2-benzenediamine;1,2-benzenediamine, 4-nitro-;o-phenylenediamine, 4-nitro-;4-nitrobenzene-1,2-diamine","c1(N)c(N)cc(N(=O)=O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Nitro-aromatic (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic|Primary aromatic amine,hydroxyl amine and its derived esters",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["602-87-9","5-nitroacenaphthene;acenaphthylene, 1,2-dihydro-5-nitro-;acenaphthene, 5-nitro-;1,2-dihydro-5-nitroacenaphthylene;5-nitro-1,2-dihydroacenaphthylene;5nitroacenaphthene","c12c3c(c(N(=O)=O)ccc3CC1)ccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"Nitro-aromatic",1]
["91-23-6","benzene, 1-methoxy-2-nitro-;o-nitroanizole;nitroanisole, 2-;o-nitroanisole;2-nitroanisole;ortho-nitroanisole;2-nitroanisole\"\";2-nitroanisole\";anisole, o-nitro-;1-methoxy-2-nitrobenzene;2nitroanisole;91-23-6","c1(OC)c(N(=O)=O)cccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["619-17-0","4-nitroanthranilic acid;2-amino-4-nitrobenzoic acid;nitroanthranilic acid, 4-;benzoic acid, 2-amino-4-nitro-","C(=O)(O)c1c(N)cc(N(=O)=O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["67-20-9","nitrofurantoin;1-[(5-nitrofurfurylidene)amino]hydantoin;2,4-imidazolidinedione, 1-[[(5-nitro-2-furanyl)methylene]amino]-;1-{[(e)-(5-nitrofuran-2-yl)methylidene]amino}imidazolidine-2,4-dione;nitrofurantoin(inn);1-[[(5-nitro-2-furanyl)methylene]amino]-2,4-imidazolidinedione;1-{[(1e)-(5-nitrofuran-2-yl)methylidene]amino}imidazolidine-2,4-dione;2,4-imidazolidenedione, 1-(((5-nitro-2-furanyl)methylene)amino)-","C1(C=NN2C(=O)NC(=O)C2)=CC=C(N(=O)=O)O1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Unsaturated heterocyclic nitro",1,"Hydrazine (Genotox)|Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Hydrazine|Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Hydrazine|Nitro-aromatic",1]
["86-57-7","1-nitronaphthalene;nitronapthalene, 1-;nitronaphtalene, 1-;naphthalene, 1-nitro-","c1(N(=O)=O)c2c(cccc2)ccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"Nitro-aromatic",1]
["504-88-1","3-nitropropionic acid;3-nitro-propenoic acid;3-nitropropionic acid (3-npa);3-nitropropanoic acid;propanoic acid, 3-nitro- (9ci)","C(=O)(O)CCN(=O)=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["684-93-5","n-methyl-n-nitrosourea;n-nitroso-n-methylurea;1-nitroso-1-methylurea;methylnitrosourea;n-nitroso-n-methylurea [n-methyl-n-nitrosourea (mnu)];1-methyl-1-nitrosourea;n-methyl-n-nitrosourea (nmu);urea, n-methyl-n-nitroso-;urea, 1-methyl-1-nitroso-;nmh;urea, 1-methyl-1-nitroso- (8ci);684-93-5","C(N)(=O)N(C)N=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2",1,"Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"Alkyl and aryl N-nitroso groups",1,"Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor",1]
["924-16-3","n,n-dibutylnitrosamine;nitrosodibutylamine;n-nitrosodibutylamine;dibutylnitrosamine;1-butanamine, n-butyl-n-nitroso-;n-butyl-n-nitrosobutan-1-amine;n-butyl-n-nitroso-1-butanamine","C(CCC)N(CCCC)N=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2",1,"Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"Alkyl and aryl N-nitroso groups",1,"Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor",1]
["62-75-9","n,n-dimethylnitrosamine;n-nitrosodimethylamine;dimethylnitrosamine;n-nitrosodimethylamine [dimethyl nitrosamine];n-nitrosodimethylamine (n-methyl-n-nitrosomethanamine);nitrosodipropylamine;dimethylnitrosoamine;dimethylnitrosamine (dmn);methanamine, n-methyl-n-nitroso-;n-methyl-n-nitrosomethanamine;nitrosaminese.g.dimethylnitrosoamine;2,2'nitrosoimino)bisethanol;62-75-9","CN(C)N=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2",1,"Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"Alkyl and aryl N-nitroso groups",1,"Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor",1]
["100-75-4","piperidine;n-nitrosopiperidine;1-nitrosopiperidine;piperidine, 1-nitroso-;100-75-4;<i>n</i>-nitroso","C1CCCCN1N=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2",1,"Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"Alkyl and aryl N-nitroso groups",1,"Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor",1]
["14698-29-4","oxolinic acid;1,3-dioxolo[4,5-g]quinoline-7-carboxylic acid, 5-ethyl-5,8-dihydro-8-oxo-;5-ethyl-8-oxo-5,8-dihydro[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid;5-ethyl-5,8-dihydro-8-oxo-1,3-dioxolo[4,5-g]quinoline-7-carboxylic acid;1,3-dioxolo(4,5-g)quinoline-7-carboxylic acid, 5-ethyl-5,8-dihydro-8-oxo-","C(=O)(O)C1C(=O)c2c(cc3c(c2)OCO3)N(CC)C=1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 102","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"1,3-Benzodioxoles (Nongenotox)|alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for nongenotoxic carcinogenicity|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"No alert found",0,"alpha,beta-unsaturated carbonyls",1,"alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor",1]
["101-80-4","4,4'-oxydianiline;4-aminophenyl ether;4,4'-diaminodiphenyl ether;4,4’-oxydianiline;benzenamine, 4,4'-oxybis-;aniline, 4,4'-oxydi-;4,4?oxydianiline(paminophenyl ether) anditssalts;4,4´-diaminodiphenylether;101-80-4","c1(Oc2ccc(N)cc2)ccc(N)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"1-phenoxy-benzene|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["56-38-2","parathion;ethyl parathion;o,o-diethyl o-(4-nitrophenyl) phosphorothioate;phosphorothioic acid, o,o-diethyl-o-(4-nitrophenyl)ester;phosphorothioic acid, o,o-diethyl o-(4-nitrophenyl) ester;o,o'diethylo4nitrophenyl phosphorothioate(parathioniso);parathion paraoxon degradate;o,o-diethyl o-(4-nitrophenyl) thiophosphate;56-38-2","c1(OP(=S)(OCC)OCC)ccc(N(=O)=O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"Nitro-aromatic",1,"Nitro-aromatic",1]
["108-45-2","1,3-benzenediamine;1,3-phenylenediamine (3-aminoaniline);m-phenylenediamine;benzene-1,3-diamine;phenylenediamine, m-;3-amino-aniline;3-phenylenediamine;mphenylenediamine anditssalts;m-phenylenediamin","c1(N)cc(N)ccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"Primary aromatic amine, hydroxyl amine and its derived esters",1]
["1955-45-9","pivalolactone;2-oxetanone, 3,3-dimethyl-;hydracrylic acid, 2,2-dimethyl-, .beta.-lactone;3,3-dimethyloxetan-2-one;1955-45-9","C1(=O)C(C)(C)CO1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Michael addition|Michael addition >> alpha, beta-unsaturated carabonyl compounds|Michael addition >> alpha, beta-unsaturated carabonyl compounds >> Four- and Five-Membered Lactones|SN2|SN2 >> Ring opening SN2 reaction|SN2 >> Ring opening SN2 reaction >> Four- and Five-Membered Lactones",1,"SN2|SN2 >> Ring opening SN2 Reaction|SN2 >> Ring opening SN2 Reaction >> Lactones",1,"Propiolactones or propiosultones (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Michael addition|Michael addition >> alpha, beta-unsaturated carabonyl compounds|Michael addition >> alpha, beta-unsaturated carabonyl compounds >> Four- and Five-Membered Lactones|SN2|SN2 >> Ring opening SN2 reaction|SN2 >> Ring opening SN2 reaction >> Four- and Five-Membered Lactones",1,"Propiolactones or propiosultones",1,"H-acceptor-path3-H-acceptor|Propiolactones or propiosultones",1]
["57-57-8","beta-propiolactone;2-oxetanone;propiolactone;beta-propionolactone;b-propriolactone;hydracrylic acid, .beta.-lactone;oxetan-2-one;ß-propiolactone;beta-propriolactone","C1(=O)CCO1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Michael addition|Michael addition >> alpha, beta-unsaturated carabonyl compounds|Michael addition >> alpha, beta-unsaturated carabonyl compounds >> Four- and Five-Membered Lactones|SN2|SN2 >> Ring opening SN2 reaction|SN2 >> Ring opening SN2 reaction >> Four- and Five-Membered Lactones",1,"SN2|SN2 >> Ring opening SN2 Reaction|SN2 >> Ring opening SN2 Reaction >> Lactones",1,"Propiolactones or propiosultones (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Michael addition|Michael addition >> alpha, beta-unsaturated carabonyl compounds|Michael addition >> alpha, beta-unsaturated carabonyl compounds >> Four- and Five-Membered Lactones|SN2|SN2 >> Ring opening SN2 reaction|SN2 >> Ring opening SN2 reaction >> Four- and Five-Membered Lactones",1,"Propiolactones or propiosultones",1,"H-acceptor-path3-H-acceptor|Propiolactones or propiosultones",1]
["75-56-9","propylene oxide;1,2-propylene oxide;oxirane, methyl-;propane, 1,2-epoxy-;oxypropylene\"\"\";methyloxirane;1,2-epoxypropane;oxypropylene;2-methyloxirane;methyloxirane(propyleneoxide);oxypropylene\";75-56-9","C1(C)CO1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides",1,"Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Epoxides and aziridines",1,"Epoxides and aziridines",1]
["117-39-5","quercetin;2-(3,4-dihydroxy-phenyl)-3,5,7-trihydroxy-chromen-4-one;3,3',4',5,7-pentahydroxyflavone;4h-1-benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-;2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4h-chromen-4-one;2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4h-1-benzopyran-4-one;117-39-5","C1(O)C(=O)c2c(O)cc(O)cc2OC=1c1cc(O)c(O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones",1,"Quercetin type flavonoids (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["96-09-3","styrene oxide;oxirane, 2-phenyl-;(epoxyethyl)benzene;oxirane, phenyl-;2-phenyloxirane;(epoxyethyl)benzene (styreneoxide);phenyloxirane;1,2-epoxyethylbenzene;benzene, (epoxyethyl)-;96-09-3","c1(C2CO2)ccccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes|SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides",1,"Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Epoxides and aziridines",1,"Epoxides and aziridines",1]
["542-75-6","1,3-dichloropropene;telone ii, technical grade (with 1% epichlorohydrin);telone ii, technical grade (without epichlorohydrin);telone ii, technical;1,3-dichloropropene (isomer mix);dichloropropene;1,3-dichloropropene [bsi:iso];dichloropropene, 1,3-;1,3-dichloropropene (telone ii);1-propene, 1,3-dichloro-;propene, 1,3-dichloro-;1,3-dichloroprop-1-ene;1,3-dichloro-1-propene;1,3 dichloropropene (3-chloroprop-2-en-ol );1,3 dichloropropene (3-caa metabolite);1,3 dichloropropene 3-chloroallyl alcohol deg;1,3 dichloropropene (telone soil fumigant);1,3 dichloropropene 3-chloroacrylic acid degr;1,3-dichloropropene, mixture","C(Cl)=CCCl","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives",1,"SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides",1,"Aliphatic halogens (Genotox)|Monohaloalkene (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives",1,"Aliphatic halogens|Monohaloalkene",1,"Aliphatic halogen|Monohaloalkene",1]
["630-20-6","1,1,1,2-tetrachloroethane;tetrachloroethane, 1,1,1,2-;ethane, 1,1,1,2-tetrachloro-;630-20-6","C(Cl)(Cl)(Cl)CCl","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation >> Vicinal Dihaloalkanes|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes",1,"No alert found",0,"Aliphatic halogens (Genotox)|Alkyl halides (Nongenotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes",1,"Aliphatic halogens",1,"Aliphatic halogen",1]
["79-34-5","ethane, 1,1,2,2-tetrachloro-;1,1,2,2-tetrachloroethane;tetrachloroethane, 1,1,2,2-;1,1,2,2,-tetrachloroethane;ethane, 1,1,2,2-tetrachloro-\"\"\";ethane, 1,1,2,2-tetrachloro-\";79-34-5","C(Cl)(Cl)C(Cl)Cl","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation >> Vicinal Dihaloalkanes|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes",1,"Acylation|Acylation >> P450 Mediated Activation to Acyl Halides|Acylation >> P450 Mediated Activation to Acyl Halides >> 1,1-Dihaloalkanes",1,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes",1,"Aliphatic halogens",1,"Aliphatic halogen",1]
["137-26-8","thiram;thioperoxydicarbonic diamide ([(h2n)c(s)]2s2), n,n,n',n'-tetramethyl-;tetramethylthiuram disulfide;thioperoxydicarbonic diamide ([(h2n)c(s)]2s2), tetramethyl-;tetramethylthioperoxydicarbonicdiamide;thioperoxydicarbonic diamide, tetramethyl-;disulfide, bis(dimethylthiocarbamoyl);thioperoxydicarbonic diamide, (Õ(h2n)c(s)å2s2), tetramethyl-\"\"\";tetramethylthiuram (thiuram;tmtd);thioperoxydicarbonic diamide, (Х(h2n)c(s)е2s2), tetramethyl-;[disulfanediylbis(carbonothioylnitrilo)]tetramethane;disulfiram(inn);thiram(inn);tetramethylthioperoxydicarbonic diamide ([(h2n)c(s)]2s2);tetramethylthiuramdisulfide;[dithiobis(carbonothioylnitrilo)]tetramethane;tetramethyl-thioperoxydicarbonic diamide;thioperoxydicarbonic diamide, (Х(h2n)c(s)е2s2), tetramethyl-\";thioperoxydicarbonic diamide (((h2n)c(s))2s2), tetramethyl-;137-26-8","C(=S)(N(C)C)SSC(=S)N(C)C","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"Structural alert for nongenotoxic carcinogenicity|Thiocarbonyl (Nongenotox)",1,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["509-14-8","tetranitromethane;methane, tetranitro-","C(N(=O)=O)(N(=O)=O)(N(=O)=O)N(=O)=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["52-24-4","thio-tepa;thiotepa;tris(1-aziridinyl)phosphine sulfide;1,1',1''-phosphorothioyltriaziridine;aziridine, 1,1',1''-phosphinothioylidynetris-;thiotepa(inn);1,1',1''-phosphinothioylidynetrisaziridine;1,1',1\"-phosphinothioylidynetrisaziridine;52-24-4","C1CN1P(=S)(N1CC1)N1CC1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Aziridines",1,"Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Epoxides and aziridines",1,"Epoxides and aziridines",1]
["139-65-1","4,4'-thiodianiline;4,4'-thiobisbenzenamine;benzenamine, 4,4'-thiobis-;aniline, 4,4'-thiodi-;4,4'-sulfanediyldianiline;4,4?thiodianilineanditssalts;4,4'-diaminodiphenylsulfide;139-65-1","c1(Sc2ccc(N)cc2)ccc(N)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"Primary aromatic amine, hydroxyl amine and its derived esters",1]
["26471-62-5","toluene diisocyanate;toluene diisocyanate, commercial grade (2,4 (80%)- and 2,6 (20%)-);2,4/2,6-toluenediisocyanate;isocyanic acid, methyl-m-phenylene ester;tolylene diisocyanate;m-tolylidene diisocyanate;benzene, 1,3-diisocyanatomethyl-;2,4/2,6-toluenediisocyanate mixture;2,4-diisocyanato-1-methylbenzene;mtolylidenediisocyanate(toluene diisocyanate);reaction mass of 4-methyl-m-phenylene diisocyanate and 2-methyl-m-phenylene diisocyanate","c1(C)c(N=C=O)cc(N=C=O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Acylation|Acylation >> Isocyanates and Isothiocyanates|Acylation >> Isocyanates and Isothiocyanates >> Isocyanates",1,"Isocyanate and isothiocyanate groups (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Isocyanate and isothiocyanate groups|Primary aromatic amine,hydroxyl amine and its derived esters",1,"Isocyanate and isothiocyanate groups|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["71-55-6","ethane, 1,1,1-trichloro-;1,1,1-trichloroethane;trichloroethane, 1,1,1-;1,1,1-trichloroethane, technical grade;methylchloroform;chlorten\"\"\";chlorten;1,1,1-trichlorethane;methyl chloroform;chlorten\";71-55-6","C(C)(Cl)(Cl)Cl","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes",1,"No alert found",0,"No alert found",0,"Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes",1,"No alert found",0,"No alert found",0]
["133-07-3","folpet;n-(trichloromethylthio)phthalimide;1h-isoindole-1,3(2h)-dione, 2-[(trichloromethyl)thio]-;1h-isoindole-1,3(2h)-dione, 2- (trichloromethyl)thio -;phthalimide, n-Х(trichloromethyl)thioе-;1h-isoindole-1,3(2h)-dione, 2-Х(trichloromethyl)thioе-;2-[(trichloromethyl)sulfanyl]-1h-isoindole-1,3(2h)-dione;n(trichloromethylthio)phthalimide(folpetiso);2-[(trichloromethyl)thio]-1h-isoindole-1,3(2h)dione;folpet ortho phaltan 50 wp;folpet phthalimide (degradate);folpet (folpan 80wdg formulation);folpet (folpan 80 wdg formulation);2-[(trichloromethyl)thio]-1h-isoindole-1,3(2h)-dione;1h-isoindole-1,3(2h)-dione, 2-((trichloromethyl)thio)-;133-07-3","C1(=O)c2c(C(=O)N1SC(Cl)(Cl)Cl)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Heteroatom",1,"No alert found",0,"Alkyl halides (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Heteroatom",1,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["96-18-4","propane, 1,2,3-trichloro-;1,2,3-trichloropropane;trichloropropane;1,2,3trichloropropane;1,2,3-trichloropropane,;96-18-4","C(Cl)(CCl)CCl","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation >> Vicinal Dihaloalkanes",1,"SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> 1,2-Dihaloalkanes",1,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aliphatic halogens",1,"Aliphatic halogen",1]
["42011-48-3","2,2,2-trifluoro-n-(4-(5-nitro-2-furyl)-2-thiazolyl)acetamide;2,2,2-trifluoro-n-[4-(5-nitro-2-furyl)-2-thiazolyl]acetamide;2,2,2-trifluoro-n-[4-(5-nitrofuran-2-yl)-1,3-thiazol-2-yl]acetamide;acetamide, 2,2,2-trifluoro-n-(4-(5-nitro-2-furanyl)-2-thiazolyl)-","C1(C2=CC=C(N(=O)=O)O2)=CSC(NC(=O)C(F)(F)F)=N1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Unsaturated heterocyclic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["137-17-7","2,4,5-trimethylaniline;trimethylaniline, 2,4,5-;2,4,5trimethylaniline[1];benzenamine, 2,4,5-trimethyl- (9ci)","c1(N)c(C)cc(C)c(C)c1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"Primary aromatic amine, hydroxyl amine and its derived esters",1]
["512-56-1","phosphoric acid, trimethyl ester;trimethylphosphate;trimethyl phosphate;methyl phosphatephosphoric acid, trimethyl ester;512-56-1","COP(=O)(OC)OC","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"No alert found",0,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid|H-acceptor-path3-H-acceptor",1]
["126-72-7","1-propanol, 2,3-dibromo-, 1,1',1''-phosphate;tris(2,3-dibromopropyl)phosphate;tris(2,3-dibromopropyl) phosphate;tris(2,3-dibromo-1-propyl) phosphate;1-propanol, 2,3-dibromo-, phosphate (3:1);2,3-dibromo-1-propanol, phosphate (3:1);tris (2,3-dibromopropyl) phosphate;126-72-7","C(Br)(COP(=O)(OCC(Br)CBr)OCC(Br)CBr)CBr","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation >> Vicinal Dihaloalkanes|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> 1,2-Dihaloalkanes",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation >> Vicinal Dihaloalkanes|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid|H-acceptor-path3-H-acceptor",1]
["75-01-4","vinyl chloride monomer;vinyl chloride;ethene, chloro-;vinylchloride;ethylene chloride;chloroethylene;ethylene, chloro-;chloroethene;vinylchloridemonomer;75-01-4","C(=C)Cl","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","G 46","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Monohaloalkene (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Monohaloalkene",1,"Monohaloalkene",1]
["75-35-4","1,1-dichloroethene;1,1-dichloroethylene,;dichloroethylene,1,1-;vinylidene chloride;ethene, 1,1-dichloro-;1,1-dichloroethylene;dichloroethylene, 1,1-;vinylidene dichloride;ethylene, 1,1-dichloro-;dichloroethylenes(acetylenechlorides) e.g.vinylidene chloride(1,1dichloroethylene);1,1-dichloroethene (9ci)","C(=C)(Cl)Cl","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0]
["4075-79-0","4-(acetylamino)biphenyl;4-acetylaminobiphenyl;acetamide, n- 1,1'-biphenyl -4-yl-;acetanilide, 4'-phenyl-;acetamide, n-Õ1,1'-biphenylå-4-yl-\"\"\";acetamide, n-[1,1'-biphenyl]-4-yl-;n-biphenyl-4-ylacetamide;acetamide, n-(1,1'-biphenyl)-4-yl-","c1(-c2ccc(NC(C)=O)cc2)ccccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100(1,8-DNP6)","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Aromatic N-acyl amine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aromatic N-acyl amine",1,"Aromatic N-acyl amine|H-acceptor-path3-H-acceptor",1]
["33372-39-3","4-bis(2-hydroxyethyl)amino-2-(5-nitro-2-thienyl)quinazoline;quinazoline, 4-bis(2-hydroxyethyl)amino-2-(5-nitro-2-thienyl)-;2,2'-{[2-(5-nitro-2-thienyl)quinazolin-4-yl]imino}diethanol","c1(C2=CC=C(N(=O)=O)S2)nc(N(CCO)CCO)c2c(cccc2)n1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine|SN1 >> Nitrenium Ion formation >> Unsaturated heterocyclic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["869-01-2","n-butyl-n-nitrosourea;n-n-butyl-n-nitrosourea;1-butyl-1-nitrosourea;urea, n-butyl-n-nitroso- (9ci);869-01-2","C(N)(=O)N(CCCC)N=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2",1,"Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"Alkyl and aryl N-nitroso groups",1,"Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor",1]
["3068-88-0","beta-butyrolactone;4-methyl-2-oxetanone;4-methyloxetan-2-one;2-oxetanone, 4-methyl-;(1)-4-methyloxetan-2-one","C1(=O)CC(C)O1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Michael addition|Michael addition >> alpha, beta-unsaturated carabonyl compounds|Michael addition >> alpha, beta-unsaturated carabonyl compounds >> Four- and Five-Membered Lactones|SN2|SN2 >> Ring opening SN2 reaction|SN2 >> Ring opening SN2 reaction >> Four- and Five-Membered Lactones",1,"SN2|SN2 >> Ring opening SN2 Reaction|SN2 >> Ring opening SN2 Reaction >> Lactones",1,"Propiolactones or propiosultones (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Michael addition|Michael addition >> alpha, beta-unsaturated carabonyl compounds|Michael addition >> alpha, beta-unsaturated carabonyl compounds >> Four- and Five-Membered Lactones|SN2|SN2 >> Ring opening SN2 reaction|SN2 >> Ring opening SN2 reaction >> Four- and Five-Membered Lactones",1,"Propiolactones or propiosultones",1,"H-acceptor-path3-H-acceptor|Propiolactones or propiosultones",1]
["123-73-9","crotonaldehyde;crotonaldehyde (2-butenal);butenal;(e)-crotonaldehyde;trans-crotonaldehyde;2-butenal, (e)-;2-butenal;2-butenal, (2e)-;(2e)-but-2-enal;(e)-2-butenal;(<i>e</i>)-form","C(=O)C=CC","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Michael addition|Michael addition >> alpha, beta-unsaturated carabonyl compounds|Michael addition >> alpha, beta-unsaturated carabonyl compounds >> Alpha, Beta-Unsaturated Aldehydes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Alpha, Beta-Unsaturated Aldehydes",1,"Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated aldehydes",1,"alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Michael addition|Michael addition >> alpha, beta-unsaturated carabonyl compounds|Michael addition >> alpha, beta-unsaturated carabonyl compounds >> Alpha, Beta-Unsaturated Aldehydes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Alpha, Beta-Unsaturated Aldehydes",1,"alpha,beta-unsaturated carbonyls",1,"alpha,beta-unsaturated carbonyls",1]
["720-69-4","4,6-diamino-2-(5-nitro-2-furyl)-1,3,5-triazine;4,6-diamino-2-(5-nitro-2-furyl)-s-triazine;6-(5-nitrofuran-2-yl)-1,3,5-triazine-2,4-diamine;s-triazine, 2,4-diamino-6-(5-nitro-2-furyl)- (8ci)","c1(C2=CC=C(N(=O)=O)O2)nc(N)nc(N)n1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Unsaturated heterocyclic nitro",1,"Nitro-aromatic (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic|Primary aromatic amine,hydroxyl amine and its derived esters",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["488-41-5","mitobronitol;dibromomannitol;1,6-dibr-1,6-dideoxymannitol;1,6-dibromo-1,6-dideoxy-d-mannitol;mannitol, 1,6-dibromo-1,6-dideoxy-, d-;488-41-5","C(O)(C(O)C(O)C(O)CBr)CBr","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Elimination (E2)|Elimination (E2) >> E2 elimination reaction with epoxide formation|Elimination (E2) >> E2 elimination reaction with epoxide formation >> Haloalcohols|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Haloalcohols",1,"SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides",1,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Elimination (E2)|Elimination (E2) >> E2 elimination reaction with epoxide formation|Elimination (E2) >> E2 elimination reaction with epoxide formation >> Haloalcohols|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Haloalcohols",1,"Aliphatic halogens",1,"Aliphatic halogen|H-acceptor-path3-H-acceptor",1]
["91-94-1","[1,1'-biphenyl]-4,4'-diamine, 3,3'-dichloro-;3,3'-dichlorobenzidine;3,3'-dichloro-[1,1'-biphenyl]-4,4'-diamine;1,1'-biphenyl -4,4'-diamine, 3,3'-dichloro-;benzidine, 3,3'-dichloro-;Х1,1'-biphenylе-4,4'-diamine, 3,3'-dichloro-;3,3'-dichlorobiphenyl-4,4'-diamine;3,3?dichlorobenzidine;3,3''-dichlorobenzidine;(1,1'-biphenyl)-4,4'-diamine, 3,3'-dichloro-","c1(-c2cc(Cl)c(N)cc2)cc(Cl)c(N)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",{"$f":"IF(W131=\"No alert found\",0,1)","v":1},"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",{"$f":"IF(AA131=\"No alert found\",0,1)","v":1},"No alert found",{"$f":"IF(AC131=\"No alert found\",0,1)","v":0},"Primary aromatic amine,hydroxyl amine and its derived esters",{"$f":"IF(AE131=\"No alert found\",0,1)","v":1},"Primary aromatic amine, hydroxyl amine and its derived esters",{"$f":"IF(AG131=\"No alert found\",0,1)","v":1}]
["298-18-0","dl-1,2:3,4-diepoxybutane;d,l-diepoxybutane;1,2:3,4-diepoxybutane dl;2,2'-bioxirane;1,2,3,4-diepoxybutane;2,2’-bioxirane, (r,r)-(±)-;deb;2,2'-bioxirane, (theta,theta)-(+/-)-","C1(C2CO2)CO1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides",1,"Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Epoxides and aziridines",1,"Epoxides and aziridines|H-acceptor-path3-H-acceptor",1]
["33389-33-2","1,2-dihydro-2-(5-nitro-2-thienyl)quinazoline-4-(3h)-one;1,2-dihydro-2-(5-nitro-2-thienyl) quinazolin-4(3h)-one;4(3h)-quinazolinone, 1,2-dihydro-2-(5-nitro-2-thienyl)-;2-(5-nitro-2-thienyl)-2,3-dihydroquinazolin-4(1h)-one","C1(=O)c2c(cccc2)NC(C2=CC=C(N(=O)=O)S2)N1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Secondary aromatic amine|SN1 >> Nitrenium Ion formation >> Unsaturated heterocyclic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["551-92-8","1,2-dimethyl-5-nitroimidazole;1,2-dimethyl-5-nitro-1h-imidazole;1h-imidazole, 1,2-dimethyl-5-nitro-;dimetridazole;1h-imidazole, 1,2-dimethyl-5-nitro- (9ci)","C1(N(=O)=O)=CN=C(C)N1C","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Unsaturated heterocyclic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["4164-28-7","n-nitrodimethylamine;dimethylnitramine;methanamine, n-methyl-n-nitro-;dimethylnitramine\"\"\";n-methyl-n-nitromethanamine;dimethylnitramine\";methanamine, n-methyl-n-nitro- (9ci);4164-28-7","CN(C)N(=O)=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Aliphatic N-Nitro",1,"Aliphatic N-nitro group (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aliphatic N-nitro group",1,"Aliphatic N-nitro group",1]
["101-25-7","dinitrosopentamethylenetetramine;1,3,5,7-tetraazabicyclo[3.3.1]nonane, 3,7-dinitroso-;n,n-dinitrosopentamethylenetetramine;3,7-dinitroso-1,3,5,7-tetraazabicyclo[3.3.1]nonane;1,3,5,7-tetraazabicyclo 3.3.1 nonane, 3,7-dinitroso-;1,3,5,7-tetraazabicycloХ3.3.1еnonane, 3,7-dinitroso-;n,n'-dinitrosopentamethylene tetramine;1,3,5,7-tetraazabicyclo(3.3.1)nonane, 3,7-dinitroso-","C1N(N=O)CN2CN(N=O)CN1C2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2",1,"Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"Alkyl and aryl N-nitroso groups",1,"Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor",1]
["606-20-2","2,6-dinitrotoluene;dinitrotoluene, 2,6-;benzene, 2-methyl-1,3-dinitro-;toluene, 2,6-dinitro-\"\"\";toluene, 2,6-dinitro-;2-methyl-1,3-dinitrobenzene;2,6dinitrotoluene;toluene, 2,6-dinitro-\"","c1(N(=O)=O)c(C)c(N(=O)=O)ccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Nitro-aromatic",1,"Nitro-aromatic",1]
["13256-06-9","n,n-dipentylnitrosamine;dipentylnitrosamine;n-nitrosodiamylamine;n-nitroso-n-pentyl-1-pentanamine;n-nitroso-n-pentylpentan-1-amine;n-nitroso-diamylamine;1-pentanamine, n-nitroso-n-pentyl- (9ci);13256-06-9","C(CCCC)N(CCCCC)N=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2",1,"Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"Alkyl and aryl N-nitroso groups",1,"Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor",1]
["759-73-9","n-ethyl-n-nitrosourea;1-ethyl-1-nitrosourea;n-nitroso-n-ethylurea [n-ethyl-n-nitrosourea (enu)] [1-ethyl-1-nitrosoruea];n-ethyl-n-nitrosourea (enu);urea, n-ethyl-n-nitroso-;nitrosoethyl urea;urea, 1-ethyl-1-nitroso-;759-73-9","C(N)(=O)N(CC)N=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2",1,"Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"Alkyl and aryl N-nitroso groups",1,"Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor",1]
["106-87-6","1-epoxyethyl-3,4-epoxycyclohexane;7-oxabicyclo[4.1.0]heptane, 3-(2-oxiranyl)-;1-ethyleneoxy-3,4-epoxycyclohexane;7-oxabicyclo 4.1.0 heptane, 3-oxiranyl-;7-oxa-3-oxiranylbicyclo[4.1.0]heptane;7-oxabicyclo[4.1.0]heptane, 3-oxiranyl-;7-oxabicycloХ4.1.0еheptane, 3-(epoxyethyl)-;7-oxabicycloХ4.1.0еheptane, 3-oxiranyl-;3-(oxiran-2-yl)-7-oxabicyclo[4.1.0]heptane;4-vinylcyclohexene diepoxide;3-oxiran-2-yl-7-oxabicyclo[4.1.0]heptane;7-oxabicyclo(4.1.0)heptane, 3-(epoxyethyl)-;106-87-6","C1(C2CC3C(CC2)O3)CO1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides",1,"Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Epoxides and aziridines",1,"Epoxides and aziridines",1]
["50-00-0","formaldehyde;formaldehyde [bsi:iso];methanal;formalin;formaldehyde (act. 37%);formaldehyde/isopropanol incubator fumigant;formaldehyde surflo formulation;formaldehyde mixture(surf flo b17);formaldehyde (surflo b315)","C=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Schiff base formers|Schiff base formers >> Direct Acting Schiff Base Formers|Schiff base formers >> Direct Acting Schiff Base Formers >> Mono aldehydes",1,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0]
["96-24-2","alpha-chlorohydrin;3-chloropropane-1,2-diol;glycerol alpha-monochlorohydrin;3-chloro-1,2-propanediol;1,2-propanediol, 3-chloro-;3-chloro-1,2-propylene glycol","C(O)(CO)CCl","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Elimination (E2)|Elimination (E2) >> E2 elimination reaction with epoxide formation|Elimination (E2) >> E2 elimination reaction with epoxide formation >> Haloalcohols|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Haloalcohols",1,"SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides",1,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Elimination (E2)|Elimination (E2) >> E2 elimination reaction with epoxide formation|Elimination (E2) >> E2 elimination reaction with epoxide formation >> Haloalcohols|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Haloalcohols",1,"Aliphatic halogens",1,"Aliphatic halogen|H-acceptor-path3-H-acceptor",1]
["765-34-4","glycidaldehyde;glycidylaldehyde;2,3-epoxypropionaldehyde;oxirane-2-carbaldehyde","C(=O)C1CO1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Schiff base formers|Schiff base formers >> Direct Acting Schiff Base Formers|Schiff base formers >> Direct Acting Schiff Base Formers >> Mono aldehydes|SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides",1,"Epoxides and aziridines (Genotox)|Simple aldehyde (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Epoxides and aziridines|Simple aldehyde",1,"Epoxides and aziridines|H-acceptor-path3-H-acceptor|Simple aldehyde",1]
["87-68-3","hexachlorobutadiene;hexachloro-1,3-butadiene;1,3-butadiene, 1,1,2,3,4,4-hexachloro-;hexachlorobuta-1,3-diene;butadiene, hexachloro-;1,1,2,3,4,4-hexachlorobuta-1,3-diene","C(Cl)(C(Cl)=C(Cl)Cl)=C(Cl)Cl","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives",1,"No alert found",0,"Structural alert for nongenotoxic carcinogenicity|Trichloro (or fluoro) ethylene and Tetrachloro (or fluoro) ethylene (Nongenotox)",1,"SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives",1,"No alert found",0,"No alert found",0]
["26049-70-7","2-hydrazino-4-(4-nitrophenyl)thiazole;2-hydrazino-4-(p-nitrophenyl) thiazole;2-hydrazino-4-(p-nitrophenyl)thiazole;2-hydrazino-4-(4-nitrophenyl)-1,3-thiazole;thiazole, 2-hydrazino-4-(p-nitrophenyl)-","C1(c2ccc(N(=O)=O)cc2)=CSC(NN)=N1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Nucleophilic addition|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization >> Hydrazine Derivatives|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Hydrazine Derivatives|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Hydrazine|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Hydrazine (Genotox)|Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Nucleophilic addition|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization >> Hydrazine Derivatives|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Hydrazine Derivatives",1,"Hydrazine|Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Hydrazine|Nitro-aromatic",1]
["4463-22-3","n-hydroxy-4-(acetylamino)biphenyl;acetamide, n-(1,1'-biphenyl)-4-yl-n-hydroxy- (9ci)","c1(-c2ccc(N(O)C(C)=O)cc2)ccccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 98(1,8-DNP6)","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> N-hydroxylamines",1,"No alert found",0,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> N-hydroxylamines",1,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["33389-36-5","4-(2-hydroxyethylamino)-2-(5-nitro-2-thienyl)quinazoline;quinazoline, 4-(2-hydroxyethylamino)-2-(5-nitro-2-thienyl)-;2-{[2-(5-nitro-2-thienyl)quinazolin-4-yl]amino}ethanol","c1(C2=CC=C(N(=O)=O)S2)nc(NCCO)c2c(cccc2)n1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Unsaturated heterocyclic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["520-18-3","kaempferol;3,5,7-trihydroxy-2-(4-hydroxy-phenyl)-chromen-4-one;3,4',5,7-tetrahydroxyflavone;3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4h-chromen-4-one;3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4h-1-benzopyran-4-one;4h-1-benzopyran-4-one, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-","C1(O)C(=O)c2c(O)cc(O)cc2OC=1c1ccc(O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["303-34-4","lasiocarpine;(1s,7ar)-7-[({(2s)-2,3-dihydroxy-2-[(1s)-1-methoxyethyl]-3-methylbutanoyl}oxy)methyl]-2,3,5,7a-tetrahydro-1h-pyrrolizin-1-yl (2z)-2-methylbut-2-enoate;2-butenoic acid, 2-methyl-, 7-((2,3-dihydroxy-2-(1-methoxyethyl)-3-methyl-1-oxobutoxy)methyl)-2,3,5,7a-tetrahydro-1h-pyrrolizin-1-yl ester, (1s-(1alpha(z),7(2s*,3r*),7a alpha))-","C(=O)(C(O)(C(C)(C)O)C(C)OC)OCC1C2C(OC(=O)C(C)=CC)CCN2CC=1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated esters|SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"Pyrrolizidine alkaloids (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity|Substituted n-alkylcarboxylic acids (Nongenotox)",1,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["74-83-9","methyl bromide;methane, bromo-;bromomethane;methane, bromo-\"\"\";methyl bromide [bsi:iso];bromomethane(methyl bromide iso);methane, bromo-\";74-83-9","CBr","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Monohaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Monohaloalkanes|SN2 >> Ring opening SN2 reaction|SN2 >> Ring opening SN2 reaction >> Monohaloalkanes",1,"SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides",1,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Monohaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Monohaloalkanes|SN2 >> Ring opening SN2 reaction|SN2 >> Ring opening SN2 reaction >> Monohaloalkanes",1,"Aliphatic halogens",1,"Aliphatic halogen",1]
["55-80-1","3'-methyl-4-(dimethylamino)azobenzene;dimethyl-(4-m-tolylazo-phenyl)-amine;3'-methyl-4-dimethylaminoazobenzene;4-dimethylamino-3'-methylazobenzene;aniline, n,n-dimethyl-p-(m-tolylazo)-;n,n-dimethyl-4-(m-tolylazo)aniline;benzenamine, n,n-dimethyl-4- (3-methylphenyl)azo -;benzenamine, n,n-dimethyl-4-((3-methylphenyl)azo)-\"\"\";benzenamine, n,n-dimethyl-4-[(3-methylphenyl)azo]-;n,n-dimethyl-4-[(3-methylphenyl)diazenyl]aniline;n,n-dimethyl-4-[(e)-(3-methylphenyl)diazenyl]aniline;benzenamine, n,n-dimethyl-4-((3-methylphenyl)azo)-;55-80-1","c1(N=Nc2ccc(N(C)C)cc2)cc(C)ccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic azo|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine",1,"Aromatic diazo (Genotox)|Aromatic mono-and dialkylamine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aromatic diazo|Aromatic mono-and dialkylamine",1,"Aromatic diazo|Aromatic mono- and dialkylamine|H-acceptor-path3-H-acceptor",1]
["21638-36-8","4-methyl-1-((5-nitrofurfurylidene)amino)-2-imidazolidinone;4-methyl-1-[(5-nitrofurfurylidene)amino]-2-imidazolidinone;4-methyl-1-{[(1e)-(5-nitrofuran-2-yl)methylidene]amino}imidazolidin-2-one;2-imidazolidinone, 4-methyl-1-(((5-nitro-2-furanyl)methylene)amino)-","C1(C=NN2C(=O)NC(C)C2)=CC=C(N(=O)=O)O1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Unsaturated heterocyclic nitro",1,"Hydrazine (Genotox)|Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Hydrazine|Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Hydrazine|Nitro-aromatic",1]
["56-49-5","3-methylcholanthrene;3-methylcholanthrene (mca);benz[j]aceanthrylene, 1,2-dihydro-3-methyl-;3-methyl-1,2-dihydrocyclopenta[ij]tetraphene;1,2-dihydro-3-methylbenz[j]aceanthrylene;benz(j)aceanthrylene, 1,2-dihydro-3-methyl-","c12c(c3c(c4c5c(c(C)ccc5c3)CC4)cc1)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1",1,"Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1]
["101-14-4","benzenamine, 4,4'-methylenebis[2-chloro-;3,3'-dichloro-4,4'-diaminodiphenylmethane;4,4'-methylenebis(2-chloroaniline);4,4'-methylene-bis(2-chloroaniline);benzenamine, 4,4-methylenebis[2-chloro-;4,4'-methylenebis(2-chlorobenzenamine);4,4'-methylenebis[2-chloroaniline];benzenamine, 4,4’-methylenebis[2-chloro-;benzenamine, 4,4'-methylenebis 2-chloro-;aniline, 4,4'-methylenebisХ2-chloro-;benzenamine, 4,4'-methylenebisХ2-chloro-;methylenebis(chloroaniline);4,4´-methylenebis(2-chloroaniline);3,3''-dichloro-4,4''-diaminodiphenylmethane;aniline, 4,4'-methylenebis(2-chloro- (8ci);101-14-4","c1(N)c(Cl)cc(Cc2cc(Cl)c(N)cc2)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"Primary aromatic amine, hydroxyl amine and its derived esters",1]
["91-62-3","6-methylquinoline;6-methyl-quinoline;quinoline, 6-methyl-;91-62-3","c12c(cc(C)cc1)cccn2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0]
["772-43-0","5-nitro-2-furamidoxine;5-nitro-2-furamidoxime;n'-hydroxy-5-nitrofuran-2-carboximidamide","C(N)(C1=CC=C(N(=O)=O)O1)=NO","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> N-hydroxylamines|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Unsaturated heterocyclic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["92-55-7","5-nitro-2-furanmethanediol diacetate;2-no2-5-di-(acetoxymethyl)furane;5-nitrofurfurylidene di(acetate);methanediol, (5-nitro-2-furanyl)-, diacetate (ester);(5-nitro-2-furyl)methylene diacetate;(5-nitrofuran-2-yl)methanediyl diacetate","C1(C(OC(C)=O)OC(C)=O)=CC=C(N(=O)=O)O1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 98(1,8-DNP6)","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Specific Acetate Esters|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Specific Acetate Esters|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> Acylating agents|SN2 >> Acylating agents >> Specific Acetate Esters|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Specific Acetate Esters",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Unsaturated heterocyclic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Specific Acetate Esters|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Specific Acetate Esters|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> Acylating agents|SN2 >> Acylating agents >> Specific Acetate Esters|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Specific Acetate Esters",1,"Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["53757-28-1","4-(5-nitro-2-furyl)thiazole;4-(5-nitrofuran-2-yl)-1,3-thiazole;thiazole, 4-(5-nitro-2-furyl)-","C1(C2=CC=C(N(=O)=O)O2)=CSC=N1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Unsaturated heterocyclic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["531-82-8","n-(4-(5-nitro-2-furyl)-2-thiazolyl)acetamide;n-[4-(5-nitro-2-furyl)-2-thiazolyl]acetamide;n-(4-(5 nitro-2-furyl)-2-thiazolyl)acetamide;n-[4-(5-nitrofuran-2-yl)-1,3-thiazol-2-yl]acetamide;acetamide, n-(4-(5-nitro-2-furyl)-2-thiazolyl)-","C1(C2=CC=C(N(=O)=O)O2)=CSC(NC(C)=O)=N1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Unsaturated heterocyclic nitro",1,"Aromatic N-acyl amine (Genotox)|Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Aromatic N-acyl amine|Nitro-aromatic",1,"Aromatic N-acyl amine|H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["555-84-0","1-((5-nitrofurfurylidene)amino)-2-imidazolidinone;1-[(5-nitrofurfurylidene)amino]-2-imidazolidinone;nifuradene;1-{[(1e)-(5-nitrofuran-2-yl)methylidene]amino}imidazolidin-2-one;2-imidazolidinone, 1-(((5-nitro-2-furanyl)methylene)amino)-","C1(C=NN2C(=O)NCC2)=CC=C(N(=O)=O)O1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Unsaturated heterocyclic nitro",1,"Hydrazine (Genotox)|Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Hydrazine|Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Hydrazine|Nitro-aromatic",1]
["51-75-2","nitrogen mustard;mechlorethamine;chlormethine;2-chloro-n-(2-chloroethyl)-n-methylethanamine;ethanamine, 2-chloro-n-(2-chloroethyl)-n-methyl-;chlormethine(inn) anditssalts;51-75-2","C(Cl)CN(C)CCCl","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Nitrogen Mustards",1,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines|SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> Mustards",1,"S or N mustard (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Nitrogen Mustards",1,"S or N mustard",1,"S or N mustard",1]
["79-46-9","propane, 2-nitro-;2-nitropropane;2nitropropane;79-46-9","C(C)(C)N(=O)=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0]
["613-50-3","6-nitroquinoline;quinoline, 6-nitro-","c12c(cc(N(=O)=O)cc1)cccn2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"Nitro-aromatic",1]
["607-35-2","8-nitroquinoline;quinoline, 8-nitro-","c1(N(=O)=O)c2c(cccn2)ccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["67587-52-4","n-nitroso-2-hydroxymorpholine;4-nitrosomorpholin-2-ol","C1(O)CN(N=O)CCO1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2",1,"Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"Alkyl and aryl N-nitroso groups",1,"Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor",1]
["55090-44-3","n-methyl-n-nitroso-1-dodecanamine;n-nitroso-n-methyl-n-dodecylamine;n-methyl-n-nitrosododecan-1-amine;dodecylamine, n-methyl-n-nitroso-","C(CCCCCCCCCCC)N(C)N=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2",1,"Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"Alkyl and aryl N-nitroso groups",1,"Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor",1]
["60599-38-4","n-nitrosobis(2-oxopropyl)amine;dipropylamine, 2,2'-dioxo-n-nitroso-;1,1'-(nitrosoimino)dipropan-2-one;2-propanone, 1,1'-(nitrosoimino)bis- (9ci)","C(C)(=O)CN(CC(C)=O)N=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2",1,"Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"Alkyl and aryl N-nitroso groups",1,"Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor",1]
["55-18-5","n-nitrosodiethylamine;n,n-diethylnitrosamine;n-nitrosodiethylamine [diethyl nitrosamine];diethylnitrosoamine;ethanamine, n-ethyl-n-nitroso-;diethylnitrosamine;n-ethyl-n-nitrosoethanamine;55-18-5","C(C)N(CC)N=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2",1,"Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"Alkyl and aryl N-nitroso groups",1,"Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor",1]
["621-64-7","n,n-dipropylnitrosamine;n-nitrosodipropylamine;n-nitroso(di-n-propyl)amine;nitrosodipropylamine;1-propanamine, n-nitroso-n-propyl-;n-nitroso-n-propylpropan-1-amine;nitrosaminese.g.dimethylnitrosoamine;2,2'nitrosoimino)bisethanol;n-nitroso-n-propyl-1-propanamine","C(CC)N(CCC)N=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2",1,"Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"Alkyl and aryl N-nitroso groups",1,"Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor",1]
["86451-37-8","n-nitrosomethyl(2,3-dihydroxypropyl)amine;n-nitrosomethyl-2,3-dihydroxypropylamine;n-nitroso(methyl)-2,3-dihydroxypropylamine;3-[methyl(nitroso)amino]propane-1,2-diol","C(O)(CN(C)N=O)CO","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2",1,"Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"Alkyl and aryl N-nitroso groups",1,"Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor",1]
["55984-51-5","n-nitrosomethyl(2-oxopropyl)amine;1-[methyl(nitroso)amino]propan-2-one;2-propanone, 1-(methylnitrosoamino)-","C(C)(=O)CN(C)N=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2",1,"Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"Alkyl and aryl N-nitroso groups",1,"Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor",1]
["611-23-4","o-nitrosotoluene;benzene, 1-methyl-2-nitroso-\"\"\";1-methyl-2-nitrosobenzene;benzene, 1-methyl-2-nitroso- (9ci)","c1(N=O)c(C)cccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitroso",1,"Aromatic nitroso group (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"Aromatic nitroso group",1,"Aromatic nitroso group  |H-acceptor-path3-H-acceptor",1]
["60102-37-6","petasitenine;(1r,3'r,6r,7r,11z)-7-hydroxy-3',6,7,14-tetramethyl-8h,17h-spiro[2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-ene-4,2'-oxirane]-3,8,17-trione;spiro(2,9-dioxa-14-azabicyclo(9.5.1)heptadec-11-ene-4,2'-oxirane)-3,8,17-trione, 7-hydroxy-3',6,7,14-tetramethyl-, (1r-(1r*,4r*(r*),6r*,7r*))-","C1(=O)C(C)(O)C(C)CC2(C(=O)OC3C(=O)C(=CCN(C)CC3)CO1)C(C)O2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated ketones|SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Pyrrolizidine alkaloids|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines|SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides",1,"Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Epoxides and aziridines",1,"Epoxides and aziridines|H-acceptor-path3-H-acceptor",1]
["7227-91-0","3,3-dimethyl-1-phenyltriazene;1-phenyl-3,3-dimethyltriazene;n,n-dimethyltriazenobenzene;n,n-dimethyltriazenobenzene\"\"\";3,3-dimethyl-1-phenyltriaz-1-ene;(1e)-3,3-dimethyl-1-phenyltriaz-1-ene;n,n-dimethyltriazenobenzene\";1-triazene, 3,3-dimethyl-1-phenyl- (9ci)","c1(N=NN(C)C)ccccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","G 46","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Carbenium Ion Formation|SN2 >> Carbenium Ion Formation >> Acyclic Triazenes",1,"No alert found",0,"Azide and triazene groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Carbenium Ion Formation|SN2 >> Carbenium Ion Formation >> Acyclic Triazenes",1,"Azide and triazene groups",1,"Azide and triazene groups|H-acceptor-path3-H-acceptor",1]
["122-60-1","phenylglycidyl ether;phenyl glycidyl ether;oxirane, 2-(phenoxymethyl)-;phenyl glydidyl ether;1-phenoxy-2,3-epoxypropane;oxirane, (phenoxymethyl)-;propane, 1,2-epoxy-3-phenoxy-\"\"\";2,3-epoxypropyl phenyl ether;propane, 1,2-epoxy-3-phenoxy-;2-(phenoxymethyl)oxirane;1,2epoxy3phenoxypropane (phenylglycidylether);phenylglycidil ether;propane, 1,2-epoxy-3-phenoxy-\";122-60-1","c1(OCC2CO2)ccccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides",1,"Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Epoxides and aziridines",1,"Epoxides and aziridines|H-acceptor-path3-H-acceptor",1]
["1120-71-4","1,3-propane sultone;1,2-oxathiolane, 2,2-dioxide;propane sultone;2,2-dioxide-1,2-oxathiolane;1,3-propanesultone;1-propanesulfonic acid, 3-hydroxy-, .gamma.-sultone;1,2-oxathiolane 2,2-dioxide;1,3propanesultone","C1CCOS1(=O)=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Ring opening SN2 reaction|SN2 >> Ring opening SN2 reaction >> Sultones|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Sulfonates and Sulfates",1,"SN2|SN2 >> Ring opening SN2 Reaction|SN2 >> Ring opening SN2 Reaction >> Sultones",1,"Propiolactones or propiosultones (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Ring opening SN2 reaction|SN2 >> Ring opening SN2 reaction >> Sultones|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Sulfonates and Sulfates",1,"Propiolactones or propiosultones",1,"H-acceptor-path3-H-acceptor|Propiolactones or propiosultones",1]
["816-57-9","n-propyl-n-nitrosourea;1-propyl-1-nitrosourea;propylnitrosourea;1-propyl-nitrosourea;1-nitroso-1-propylurea;urea, 1-nitroso-1-propyl- (8ci);816-57-9","C(N)(=O)N(CCC)N=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2",1,"Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"Alkyl and aryl N-nitroso groups",1,"Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor",1]
["2318-18-5","senkirkine;4,8-secosenecionan-8,11,16-trione, 12-hydroxy-4-methyl- (9ci)","C1(=O)C(C)(O)C(C)CC(=CC)C(=O)OC2C(=O)C(=CCN(C)CC2)CO1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated esters|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated ketones|SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["10048-13-2","sterigmatocystin;(3ar-cis)3a,12c-dihydro-8-hydroxy-6-methoxy-7h-furo[3',2':4,5]furo[2,3-c]xanthen-7-one;8-hydroxy-6-methoxy-3a,12c-dihydro-7h-furo[3',2':4,5]furo[2,3-c]xanthen-7-one;3a,12c-dihydro-8-hydroxy-6-methoxy-7h-furo[3',2':4,5]furo[2,3-c]xanthen-7-one;8-hydroxy-6-(methyloxy)-3a,12c-dihydro-7h-furo[3',2':4,5]furo[2,3-c]xanthen-7-one;(3ar-cis)3a,12c-dihydro-8-hydroxy-6-methoxy-7h-furo(3',2':4,5)furo(2,3-c)xanthen-7-one","c12C(=O)c3c(c4c(cc3OC)OC3C4C=CO3)Oc1cccc2O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"1-phenoxy-benzene|H-acceptor-path3-H-acceptor",1]
["80-15-9","cumene hydroperoxide;2-phenyl-prop-2-yl-hydroperoxide;hydroperoxide, 1-methyl-1-phenylethyl;1-methyl-1-phenylethyl hydroperoxide;±,±-dimethylbenzyl hydroperoxide;?,?-dimethylbenzyl hydroperoxide;hydroperoxide, .alpha.,.alpha.-dimethylbenzyl;2-phenylpropan-2-yl hydroperoxide;α,α-dimethylbenzyl hydroperoxide;hydroperoxide, 1-methyl-1-phenylethyl-;hydroperoxide, alpha,alpha-dimethylbenzyl-;80-15-9","C(C)(C)(c1ccccc1)OO","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 104","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Organic Peroxy Compounds",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes",1,"No alert found",0,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Organic Peroxy Compounds",1,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["88-89-1","phenol, 2,4,6-trinitro-;2,4,6-nitrophenol;trinitrophenol, 2,4,6-;2,4,6-trinitrophenol;picric acid;2,4,6-trinitro-phenol;picricacid","c1(N(=O)=O)c(O)c(N(=O)=O)cc(N(=O)=O)c1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["89-63-4","benzenamine, 4-chloro-2-nitro-;4-chloro-2-nitroaniline;2-nitro-4-chloroaniline;4-chloro-2-nitro-aniline;aniline, 4-chloro-2-nitro-;89-63-4","c1(N)c(N(=O)=O)cc(Cl)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Nitro-aromatic (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic|Primary aromatic amine,hydroxyl amine and its derived esters",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["91-22-5","quinoline;91-22-5","c12c(cccc1)cccn2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0]
["95-68-1","benzenamine, 2,4-dimethyl-;2,4-dimethylaniline;2,4-dimethyl-phenylamine;2,4-xylidine.hcl;2,4-dimethyl-aniline;2,4-xylidine;1-amino-2,4-dimethylbenzene;95-68-1","c1(N)c(C)cc(C)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"Primary aromatic amine, hydroxyl amine and its derived esters",1]
["96-13-9","2,3-dibromopropanol;dibromo-1-propanol, 2,3-;2,3-dibromo-1-propanol;2,3-dibromopropan-1-ol;1-propanol, 2,3-dibromo-;2,3dibromopropan1ol","C(Br)(CO)CBr","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Elimination (E2)|Elimination (E2) >> E2 elimination reaction with epoxide formation|Elimination (E2) >> E2 elimination reaction with epoxide formation >> Haloalcohols|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Haloalcohols|SN2|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation >> Vicinal Dihaloalkanes",1,"SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> 1,2-Dihaloalkanes",1,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Elimination (E2)|Elimination (E2) >> E2 elimination reaction with epoxide formation|Elimination (E2) >> E2 elimination reaction with epoxide formation >> Haloalcohols|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Haloalcohols|SN2|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation >> Vicinal Dihaloalkanes",1,"Aliphatic halogens",1,"Aliphatic halogen",1]
["99-65-0","1,3-dinitrobenzene;dinitrobenzene, 1,3-;dinitrobenzene, m-;benzene, 1,3-dinitro-;benzene, m-dinitro-;m-dinitrobenzene","c1(N(=O)=O)cc(N(=O)=O)ccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"Nitro-aromatic",1]
["107-07-3","ethylene chlorohydrin;chloroethanol, 2-;chloroethanol;2-chloroethanol;2-chloro-ethanol;2-chloroethanol [ethylene chlorohydrin];ethanol, 2-chloro-;ethylene chlorhydrin;107-07-3","C(Cl)CO","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Elimination (E2)|Elimination (E2) >> E2 elimination reaction with epoxide formation|Elimination (E2) >> E2 elimination reaction with epoxide formation >> Haloalcohols|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Haloalcohols",1,"SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides",1,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Elimination (E2)|Elimination (E2) >> E2 elimination reaction with epoxide formation|Elimination (E2) >> E2 elimination reaction with epoxide formation >> Haloalcohols|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Haloalcohols",1,"Aliphatic halogens",1,"Aliphatic halogen",1]
["118-96-7","trinitrotoluene;trinitrotoluene, 2,4,6-;2,4,6-trinitrotoluene;benzene, 2-methyl-1,3,5-trinitro-;2,4,6-trinitrotoluene (tnt);toluene, 2,4,6-trinitro-;2-methyl-1,3,5-trinitrobenzene","c1(N(=O)=O)c(C)c(N(=O)=O)cc(N(=O)=O)c1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"Nitro-aromatic",1]
["298-04-4","disulfoton;o,o-diethyl-s-[2-(ethylthio)ethyl]ester, phosphorothioic acid;o,o-diethyl s-[2-(ethylsulfanyl)ethyl] phosphorodithioate;phosphorodithioic acid, o,o-diethyl s-[2-(ethylthio)ethyl] ester;phosphorodithioic acid, o,o-diethyl-s-[2-(ethylthio)ethyl] ester;disulfoton/fensulfothion mixture;disulfoton disyston 15 g formulation;disulfoton disyston 6lb/gal;disulfoton sulfone degadate;disulfoton sulfoxide degradate;disulfoton 2% granular formulation;disulfoton/chloroneb mixture;phosphorodithioic acid, o,o-diethyl s-(2-(ethylthio)ethyl) ester;298-04-4","C(CSCC)SP(=S)(OCC)OCC","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"No alert found",0,"No alert found",0,"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"No alert found",0,"No alert found",0]
["301-12-2","metasystox-r;oxydemeton-methyl;oxydemeton methyl;metasystox r;s-[2-(ethylsulfinyl)ethyl] o,o-dimethyl phosphorothioate;phosphorothioic acid, s-[2-(ethylsulfinyl)ethyl] o,o-dimethyl ester;phosphorothioic acid, s-(2-(ethylsulfinyl)ethyl) o,o-dimethyl ester;301-12-2","C(CS(=O)CC)SP(=O)(OC)OC","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"No alert found",0,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid|H-acceptor-path3-H-acceptor",1]
["584-79-2","allethrin;bioallethrin;d-cis,trans-allethrin;cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, 2-methyl-4-oxo-3-(2-propenyl)-2-cyclopenten-1-yl ester;bioallethrin [ban];2-methyl-4-oxo-3-(prop-2-en-1-yl)cyclopent-2-en-1-yl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate;2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylic acid 2-methyl-4-oxo-3-(2-propenyl)-2-cyclopenten-1-yl ester;d-trans-allethrin;cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methylpropenyl)-, ester with 2-allyl-4-hydroxy-3-methyl-2-cyclopenten-1-one (van) (8ci);584-79-2","C1(=O)C(CC=C)=C(C)C(OC(=O)C2C(C)(C)C2C=C(C)C)C1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"alpha,beta-unsaturated carbonyls",1,"alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor",1]
["602-01-7","2,3-dinitrotoluene;dinitrotoluene;benzene, 1-methyl-2,3-dinitro-;1-methyl-2,3-dinitrobenzene;2,3dinitrotoluene","c1(N(=O)=O)c(N(=O)=O)c(C)ccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"No alert found",0,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["732-11-6","phosmet [ban];decemthion;phosmet;s-[(1,3-dihydro-1,3-dioxo-2h-isoindol-2-yl)methyl]o,o-dimethyl ester, phosphorodithioic acid;s-[(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)methyl] o,o-dimethyl phosphorodithioate;phosphorodithioic acid, s-[(1,3-dihydro-1,3-dioxo-2h-isoindol-2-yl)methyl] o,o-dimethyl ester;phosmet imidan 50 wp formulatio;phosmet imidan 50 wp formulation;phosphorodithioic acid, s-((1,3-dihydro-1,3-dioxo-2h-isoindol-2-yl)methyl) o,o-dimethyl ester;732-11-6","C1(=O)c2c(C(=O)N1CSP(=S)(OC)OC)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"No alert found",0,"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["2303-17-5","triallate;tri-allate;s-(2,3,3-trichloroprop-2-en-1-yl) diisopropylcarbamothioate;carbamothioic acid, bis(1-methylethyl)-, s-(2,3,3-trichloro-2-propenyl) ester;s-(2,3,3-trichloro-2-propenyl)ester bis(1-methylethyl), carbamothioic acid;2303-17-5","C(Cl)(Cl)=C(Cl)CSC(=O)N(C(C)C)C(C)C","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"Alkyl carbamate and thiocarbamate (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity|Trichloro (or fluoro) ethylene and Tetrachloro (or fluoro) ethylene (Nongenotox)",1,"No alert found",0,"Alkyl carbamate and thiocarbamate",1,"Alkyl carbamate and thiocarbamate|H-acceptor-path3-H-acceptor",1]
["90-15-3","1-naphthol;naphthol, 1-;naphthalen-1-ol;1-naphthalenol;1-hydroxynaphthalene","c1(O)c2c(cccc2)ccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",{"$f":"IF(W195=\"No alert found\",0,1)","v":0},"No alert found",0,"No alert found",{"$f":"IF(AA195=\"No alert found\",0,1)","v":0},"No alert found",{"$f":"IF(AC195=\"No alert found\",0,1)","v":0},"No alert found",{"$f":"IF(AE195=\"No alert found\",0,1)","v":0},"No alert found",{"$f":"IF(AG195=\"No alert found\",0,1)","v":0}]
["100-25-4","1,4-dinitrobenzene;p-dinitrobenzene;benzene, p-dinitro-;benzene, 1,4-dinitro-","c1(N(=O)=O)ccc(N(=O)=O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"Nitro-aromatic",1]
["109-65-9","1-bromobutane;butyl bromide;butane, 1-bromo-;butylbrom;109-65-9","C(Br)CCC","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Monohaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Monohaloalkanes|SN2 >> Ring opening SN2 reaction|SN2 >> Ring opening SN2 reaction >> Monohaloalkanes",1,"SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides",1,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Monohaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Monohaloalkanes|SN2 >> Ring opening SN2 reaction|SN2 >> Ring opening SN2 reaction >> Monohaloalkanes",1,"Aliphatic halogens",1,"Aliphatic halogen",1]
["329-71-5","2,5-dinitrophenol;2,5-dinitro-phenol;dinitrophenolisomers;phenol, 2,5-dinitro-","c1(N(=O)=O)c(O)cc(N(=O)=O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["371-40-4","4-fluoroaniline;4-fluoro-phenylamine;p-fluoroaniline;benzenamine, 4-fluoro-;aniline, p-fluoro-;4-fluoro-aniline;aniline, p-fluoro- (8ci);371-40-4","c1(F)ccc(N)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"Primary aromatic amine, hydroxyl amine and its derived esters",1]
["555-16-8","4-nitrobenzaldehyde;benzaldehyde, 4-nitro-;benzaldehyde, p-nitro-;555-16-8","c1(C=O)ccc(N(=O)=O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Simple aldehyde (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic|Simple aldehyde",1,"Nitro-aromatic|Simple aldehyde",1]
["620-88-2","4-nitrophenyl phenyl ether;nitrophenyl phenyl ether, 4-;4-nitrodiphenyl ether;4-nitro diphenyl ether;benzene, 1-nitro-4-phenoxy-;1-nitro-4-phenoxybenzene;4-nitrophenyl phenylether;ether, p-nitrophenyl phenyl (8ci)","c1(Oc2ccccc2)ccc(N(=O)=O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"1-phenoxy-benzene|Nitro-aromatic",1]
["13608-87-2","2',3',4'-trichloroacetophenone;trichloroacetophenone, 2,3,4-;2,3,4-trichloroacetophenone;ethanone, 1-(2,3,4-trichlorophenyl)-;1-(2,3,4-trichlorophenyl)ethanone","C(C)(=O)c1c(Cl)c(Cl)c(Cl)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0]
["56-57-5","4-nitroquinoline 1-oxide;4-nitroquinoline-n-oxide;4-nitroquinoline oxide;4-nitroquinoline-1-oxide;4-nitroquinoline n-oxide;4-nitroquinoline, 1-oxide;quinoline, 4-nitro-, 1-oxide","c1(N(=O)=O)c2c(cccc2)n(=O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Aromatic ring N-oxide (Genotox)|Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aromatic ring N-oxide|Nitro-aromatic",1,"Aromatic ring N-oxide|Nitro-aromatic",1]
["60-09-3","4-aminoazobenzene;4-phenylazoaniline;4-phenylazo-phenylamine;p-phenylazoaniline;p-aminoazobenzene;solvent yellow 1;p-(phenylazo)aniline;benzenamine, 4-(phenylazo)-;c.i. solvent yellow 1;4-[(e)-phenyldiazenyl]aniline;4aminoazobenzene;4-(phenylazo)benzenamine;para-aminoazobenzene;4-(phenyldiazenyl)aniline;c.i. solvent yellow 1 (8ci)","c1(N)ccc(N=Nc2ccccc2)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic azo|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Aromatic diazo (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Aromatic diazo|Primary aromatic amine,hydroxyl amine and its derived esters",1,"Aromatic diazo|H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["62-50-0","ethyl methanesulfonate;methanesulfonic acid;ethyl methanesulphonate;methanesulfonic acid, ethyl ester;ethyl methanesulfonate (ems);et ester","C(C)OS(C)(=O)=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Sulfonates and Sulfates",1,"SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Sulfonates",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Sulfonates and Sulfates",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid|H-acceptor-path3-H-acceptor",1]
["64-67-5","diethyl sulfate;diethyl sulphate;sulfuric acid, diethyl ester;diethylsulphate;sulfuric acid diethyl ester;64-67-5","C(C)OS(=O)(=O)OCC","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Sulfonates and Sulfates",1,"SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Sulfates",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Sulfonates and Sulfates",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid|H-acceptor-path3-H-acceptor",1]
["75-55-8","propyleneimine;2-methylaziridine;1,2-propyleneimine propyleneimine;propylenimine;aziridine, 2-methyl-;2methylaziridine;75-55-8","C1(C)CN1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Aziridines",1,"Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Epoxides and aziridines",1,"Epoxides and aziridines",1]
["77-78-1","dimethyl sulfate;dimethylsulfate;dimethyl sulphate;sulfuric acid, dimethyl ester;dimethylsulphate;77-78-1","COS(=O)(=O)OC","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Sulfonates and Sulfates",1,"SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Sulfates",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Sulfonates and Sulfates",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid|H-acceptor-path3-H-acceptor",1]
["101-77-9","benzenamine, 4,4'-methylenebis-;4,4'-diaminodiphenylmethane;4,4'-methylenebis(aniline);4,4'-methylenedianiline dihydrochloride;di-(p-aminophenyl)methane;4,4'-methylenedianiline;benzenamine, 4,4 -methylenebis-;methylene dianiline;4,4'-methylene dianaline;4,4’-methylenedianiline;benzenamine, 4,4’-methylenebis-;aniline, 4,4'-methylenedi-;4,4?methylenedianiline;4,4´-methylenedianiline;4,4''-diaminodiphenylmethane;101-77-9","c1(N)ccc(Cc2ccc(N)cc2)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"Primary aromatic amine, hydroxyl amine and its derived esters",1]
["134-32-7","1-naphthalenamine;1-aminonaphthalene;1-naphthylamine;naphthalen-1-ylamine;1-naphtylamine;naphthalen-1-amine;1and2naphthylaminesandtheirsalts;alpha-naphthylamine;1-naphthylenamine","c1(N)c2c(cccc2)ccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"Primary aromatic amine, hydroxyl amine and its derived esters",1]
["192-97-2","benzo[e]pyrene;benzo(e)pyrene","c12c3c(c4c(c5c3c(ccc5)cc1)cccc4)ccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition|SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1",1,"Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1]
["205-82-3","benzo[j]fluoranthene;benzo(j)fluoranthene","c12c(c3c(c4c5c(cccc35)ccc4)cc1)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1]
["205-99-2","benzo[b]fluoranthene;benzo(b)fluoranthene;benzo[e]acephenanthrylene;benz(e)acephenanthrylene;benz[e]acephenanthrylene","c12c(c3c4c(c5c(c4ccc3)cccc5)c1)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1",1,"Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1]
["607-57-8","2-nitrofluorene;2-nitro-9h-fluorene;9h-fluorene, 2-nitro-;fluorene, 2-nitro- (8ci)","c12-c3c(cc(N(=O)=O)cc3)Cc1cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality, Conflict","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic|Polycyclic Aromatic Hydrocarbons",1,"Nitro-aromatic|Polycyclic Aromatic Hydrocarbons",1]
["823-40-5","2,6-diaminotoluene;2,6-toluenediamine dihydrochloride;2-methyl-m-phenylenediamine;1,3-benzenediamine, 2-methyl-;toluene-2,6-diamine;2-methylbenzene-1,3-diamine;2methylmphenylenediamine(toluene2,6diamine);1,3-diamino-2-methylbenzene","c1(N)c(C)c(N)ccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"Primary aromatic amine, hydroxyl amine and its derived esters",1]
["1464-53-5","1,2:3,4-diepoxybutane;diepoxybutane;2,2-bioxirane;diepoxybutane, 1,2 :3,4;2,2'-bioxirane;2,2?bioxirane(1,2:3,4diepoxybutane);butane, 1,2:3,4-diepoxy-;1464-53-5","C1(C2CO2)CO1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides",1,"Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Epoxides and aziridines",1,"Epoxides and aziridines|H-acceptor-path3-H-acceptor",1]
["20830-81-3","daunomycin;daunamycin;daunorubicin;5,12-naphthacenedione, 8-acetyl-10-[(3-amino-2,3,6-trideoxy-?-l-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, (8s,10s)-;(1s,3s)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-alpha-l-lyxo-hexopyranoside;(8s-cis)-8-acetyl-10-[(3-amino-2,3,6-trideoxy-alpha-l-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-5,12-naphthacenedine;5,12-naphthacenedione, 8-acetyl-10-((3-amino-2,3,6-trideoxy-alpha-l-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, (8s,10s)-;20830-81-3","c12C(=O)c3c(C(=O)c1c(O)c1c(c2O)C(OC2CC(N)C(O)C(C)O2)CC(O)(C(C)=O)C1)cccc3OC","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Alkyl phenols",1,"Quinones (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones",1,"Quinones",1,"H-acceptor-path3-H-acceptor|Quinones",1]
["42397-65-9","1,8-dinitropyrene;pyrene, 1,8-dinitro-","c1(N(=O)=O)c2c3c4c(c(N(=O)=O)ccc4ccc3cc1)cc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Nitro-aromatic|Polycyclic Aromatic Hydrocarbons",1,"Nitro-aromatic|Polycyclic Aromatic Hydrocarbons",1]
["77094-11-2","2-amino-3,4-dimethyl-3h-imidazo[4,5-f]quinoline;meiq;2-amino-3,4-dimethylimidazo(4,5-f)quinoline;3,4-dimethyl-3h-imidazo[4,5-f]quinolin-2-amine;3h-imidazo(4,5-f)quinoline, 2-amino-3,4-dimethyl-;2-amino-3,4-dimethylimidazo[4,5-<i>f</i>]quinoline","c12c(c3c(c(C)c1)N(C)C(N)=N3)cccn2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary (unsaturated) heterocyclic amine",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Imidazole, benzimidazole (Nongenotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons",1,"H-acceptor-path3-H-acceptor|Heterocyclic Polycyclic Aromatic Hydrocarbons",1]
["77500-04-0","2-amino-3,8-dimethyl-3h-imidazo[4,5-f]quinoxaline;meiqx;8-methyl-iqx;3,8-dimethyl-3h-imidazo[4,5-f]quinoxalin-2-amine;3h-imidazo(4,5-f)quinoxaline, 2-amino-3,8-dimethyl-","c12c(c3c(cc1)N(C)C(N)=N3)nc(C)cn2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary (unsaturated) heterocyclic amine",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Imidazole, benzimidazole (Nongenotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons",1,"H-acceptor-path3-H-acceptor|Heterocyclic Polycyclic Aromatic Hydrocarbons",1]
["59-92-7","l-dopa;(s)-2-amino-3-(3,4-dihydroxy-phenyl)-propionic acid;2-amino-3-(3,4-dihydroxy-phenyl)-propionic acid;dopa;levodopa;l-tyrosine, 3-hydroxy-;3-hydroxy-l-tyrosine;levodopa [usan:ban:inn:jan];alanine, 3-(3,4-dihydroxyphenyl)-, l-;59-92-7;(<i>s</i>)-form;2-amino-3-(3,4-dihydroxyphenyl)propanoic acid","c1(O)c(O)cc(CC(N)C(=O)O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Alkyl phenols|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["66-75-1","uracil mustard;uramustine;5-[bis(2-chloroethyl)amino]pyrimidine-2,4(1h,3h)-dione;uracil mustard [usan];2,4(1h,3h)-pyrimidinedione, 5-(bis(2-chloroethyl)amino)-","C1(=O)C(N(CCCl)CCCl)=CNC(=O)N1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives|SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Nitrogen Mustards",1,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines|SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> Mustards",1,"alpha,beta-unsaturated carbonyls (Genotox)|S or N mustard (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"alpha,beta-unsaturated carbonyls|S or N mustard",1,"alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor|S or N mustard",1]
["78-89-7","2-chloropropanol;2-chloro-1-propanol;2-chloropropan-1-ol;1-propanol, 2-chloro-","C(C)(Cl)CO","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Elimination (E2)|Elimination (E2) >> E2 elimination reaction with epoxide formation|Elimination (E2) >> E2 elimination reaction with epoxide formation >> Haloalcohols|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Haloalcohols",1,"SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides",1,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Elimination (E2)|Elimination (E2) >> E2 elimination reaction with epoxide formation|Elimination (E2) >> E2 elimination reaction with epoxide formation >> Haloalcohols|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Haloalcohols",1,"Aliphatic halogens",1,"Aliphatic halogen",1]
["107-22-2","ethanedial;glyoxal;oxalaldehyde;ethane-1,2-dione;glyoxal (act. 40%);glyoxal, 29.2%;107-22-2","C(=O)C=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Dicarbonyl Compounds",1,"Schiff base formers|Schiff base formers >> Direct Acting Schiff Base Formers|Schiff base formers >> Direct Acting Schiff Base Formers >> Alpha-beta-dicarbonyl",1,"Simple aldehyde (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Dicarbonyl Compounds",1,"Simple aldehyde",1,"H-acceptor-path3-H-acceptor|Simple aldehyde",1]
["111-30-8","pentanedial;glutaraldehyde;pentane-1,5-dial;glutaral;glutaral [usan:inn:jan];glutaraldehyde (act. 50%);glutaraldehyde (ucaride 250 antimicrobial);glutaraldehyde mixture (043901+ 069173);glutaraldehyde (protectol gda  formula);111-30-8","C(=O)CCCC=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Dicarbonyl Compounds",1,"Schiff base formers|Schiff base formers >> Direct Acting Schiff Base Formers|Schiff base formers >> Direct Acting Schiff Base Formers >> Mono aldehydes",1,"Simple aldehyde (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Dicarbonyl Compounds",1,"Simple aldehyde",1,"Simple aldehyde",1]
["127-07-1","hydroxyurea;hydrixycarbamide;urea, hydroxy-;1-hydroxyurea;n-carbamoylhydroxylamine;127-07-1","C(N)(=O)NO","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> N-hydroxylamines|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"No alert found",0,"No alert found",0,"SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> N-hydroxylamines|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["153-78-6","2-aminofluorene;9h-fluoren-2-amine","c12-c3c(cc(N)cc3)Cc1cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality, Conflict","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Polycyclic Aromatic Hydrocarbons (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Polycyclic Aromatic Hydrocarbons|Primary aromatic amine,hydroxyl amine and its derived esters",1,"Polycyclic Aromatic Hydrocarbons|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["494-03-1","n,n-bis(2-chloroethyl)-2-naphthylamine;chlornaphazine;chloronaphazine;n,n-bis(2-chloroethyl)naphthalen-2-amine;2-naphthalenamine, n,n-bis(2-chloroethyl)- (9ci)","c12c(cc(N(CCCl)CCCl)cc1)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Nitrogen Mustards",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine|SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> Mustards",1,"S or N mustard (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"S or N mustard",1,"S or N mustard",1]
["519-23-3","ellipticine;5,11-dimethyl-6h-pyrido[4,3-b]carbazole;6h-pyrido(4,3-b)carbazole, 5,11-dimethyl-","c12-c3c(c(C)c4c(c3C)cncc4)Nc1cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Heterocyclic Polycyclic Aromatic Hydrocarbons",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons",1]
["542-78-9","malondialdehyde;malonaldehyde;3-hydroxy-2-propenal sodium salt;542-78-9","C(=O)CC=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Moderate Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 102","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Dicarbonyl Compounds",1,"Schiff base formers|Schiff base formers >> Direct Acting Schiff Base Formers|Schiff base formers >> Direct Acting Schiff Base Formers >> Mono aldehydes",1,"Simple aldehyde (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Dicarbonyl Compounds",1,"Simple aldehyde",1,"H-acceptor-path3-H-acceptor|Simple aldehyde",1]
["543-67-9","propyl nitrite;n-propylnitrite;1-propyl nitrite;nitrous acid, propyl ester","C(CC)ON=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical decomposition|Radical >> Radical decomposition >> Alkylnitrites|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Alkylnitrites|SN1|SN1 >> Nitrosation|SN1 >> Nitrosation >> Alkylnitrites",1,"SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Alkyl nitrates",1,"Alkyl nitrite (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical decomposition|Radical >> Radical decomposition >> Alkylnitrites|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Alkylnitrites|SN1|SN1 >> Nitrosation|SN1 >> Nitrosation >> Alkylnitrites",1,"Alkyl nitrite",1,"Alkyl nitrite|H-acceptor-path3-H-acceptor",1]
["607-59-0","4-(dimethylaminobenzeneazo)-1-naphthalene;aniline, n,n-dimethyl-p-(1-naphthylazo)-;benzenamine, n,n-dimethyl-4-(1-naphthalenylazo)- (9ci)","c1(N=Nc2ccc(N(C)C)cc2)c2c(cccc2)ccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic azo|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine",1,"Aromatic diazo (Genotox)|Aromatic mono-and dialkylamine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aromatic diazo|Aromatic mono-and dialkylamine",1,"Aromatic diazo|Aromatic mono- and dialkylamine|H-acceptor-path3-H-acceptor",1]
["613-13-8","2-aminoanthracene;2-anthrylamine;anthracen-2-amine","c12c(cc3c(cc(N)cc3)c1)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition|SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Polycyclic Aromatic Hydrocarbons (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Polycyclic Aromatic Hydrocarbons|Primary aromatic amine,hydroxyl amine and its derived esters",1,"Polycyclic Aromatic Hydrocarbons|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["613-65-0","4-(dimethylaminobenzeneazo)-2-naphthalene;aniline, n,n-dimethyl-p-(2-naphthylazo)-;benzenamine, n,n-dimethyl-4-(2-naphthalenylazo)-","c12c(cc(N=Nc3ccc(N(C)C)cc3)cc1)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic azo|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine",1,"Aromatic diazo (Genotox)|Aromatic mono-and dialkylamine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aromatic diazo|Aromatic mono-and dialkylamine",1,"Aromatic diazo|Aromatic mono- and dialkylamine|H-acceptor-path3-H-acceptor",1]
["838-95-9","trans-4-(dimethylamino)stilbene;benzenamine, n,n-dimethyl-4-(2-phenylethenyl)-,;benzenamine, n,n-dimethyl-4-(2-phenylethenyl)-, (e)-;4-stilbenamine, n,n-dimethyl-, (e)-","c1(C=Cc2ccc(N(C)C)cc2)ccccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Moderate Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine",1,"Aromatic mono-and dialkylamine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aromatic mono-and dialkylamine",1,"Aromatic mono- and dialkylamine",1]
["1074-12-0","phenylglyoxal;benzoylformaldehyde;benzeneacetaldehyde, alpha-oxo-;oxo(phenyl)acetaldehyde;benzeneacetaldehyde, alpha-oxo- (9ci)","c1(C(=O)C=O)ccccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Schiff base fomers >> Direct acting Schiff base formers >> Dicarbonyl Compounds",1,"Schiff base formers|Schiff base formers >> Direct Acting Schiff Base Formers|Schiff base formers >> Direct Acting Schiff Base Formers >> Alpha-beta-dicarbonyl",1,"Simple aldehyde (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Schiff base fomers >> Direct acting Schiff base formers >> Dicarbonyl Compounds",1,"Simple aldehyde",1,"H-acceptor-path3-H-acceptor|Simple aldehyde",1]
["2426-08-06","1-butoxy-2,3-epoxypropane;oxirane, 2-(butoxymethyl)-;glycidyl n-butyl ether;butyl glycidyl ether;n-butyl glycidyl ether;oxirane, (butoxymethyl)-;butyl 2,3-epoxypropyl ether;propane, 1-butoxy-2,3-epoxy-;2-(butoxymethyl)oxirane;butyl glycidylether;(butoxymethyl)oxirane;bge;2426-08-6","C1(COCCCC)CO1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides",1,"Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Epoxides and aziridines",1,"Epoxides and aziridines|H-acceptor-path3-H-acceptor",1]
["4016-11-09","(ethoxymethyl)oxirane;oxirane, (ethoxymethyl)-;propane, 1,2-epoxy-3-ethoxy-;2-(ethoxymethyl)oxirane","C1(COCC)CO1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides",1,"Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Epoxides and aziridines",1,"Epoxides and aziridines|H-acceptor-path3-H-acceptor",1]
["6098-44-8","n-acetoxy-2-acetylaminofluorene;acetamide, n-(acetoxy)-n-9h-fluoren-2-yl- (9ci)","c12-c3c(cc(N(C(C)=O)OC(C)=O)cc3)Cc1cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> SN2 at Nitrogen Atom|SN2 >> SN2 at Nitrogen Atom >> N-acetoxyamines",1,"No alert found",0,"Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> SN2 at Nitrogen Atom|SN2 >> SN2 at Nitrogen Atom >> N-acetoxyamines",1,"Polycyclic Aromatic Hydrocarbons",1,"H-acceptor-path3-H-acceptor|Polycyclic Aromatic Hydrocarbons",1]
["16238-56-5","7-(bromomethyl)-12-methylbenz[a]anthracene;7-bromomethyl-12-methylbenz(a)anthracene;benz(a)anthracene, 7-(bromomethyl)-12-methyl-","c12c(c3c(C)c4c(c(CBr)c3cc1)cccc4)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition|SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1|SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides",1,"Aliphatic halogens (Genotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Aliphatic halogens|Polycyclic Aromatic Hydrocarbons",1,"Aliphatic halogen|Polycyclic Aromatic Hydrocarbons",1]
["25413-64-3","n-propyl-n-butylnitrosamine;n-nitrosopropylbutylamine;1-butanamine, n-nitroso-n-propyl-","C(CCC)N(CCC)N=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Moderate Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2",1,"Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"Alkyl and aryl N-nitroso groups",1,"Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor",1]
["78-30-8","o-tolyl phosphate;phosphoric acid, tris(2-methylphenyl) ester;tris(o-cresyl) phosphate;tri-o-cresyl phosphate;o-tricresyl phosphate;tri-o-tolyl phosphate;phosphoric acid, tri-o-tolyl ester;tris(2-methylphenyl) phosphate;tri-ortho-cresyl phosphate;78-30-8","c1(OP(=O)(Oc2c(C)cccc2)Oc2c(C)cccc2)c(C)cccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["87-66-1","pyrogallol (1,2,3-trihydroxybenzene);pyrogallol;benzene-1,2,3-triol;1,2,3-trihydroxybenzene;1,2,3-benzenetriol","c1(O)c(O)c(O)ccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["631-64-1","dibromoacetic acid;acetic acid, dibromo-;dibromo-acetic acid","C(=O)(O)C(Br)Br","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups",1,"No alert found",0,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups",1,"Aliphatic halogens",1,"Aliphatic halogen|H-acceptor-path3-H-acceptor",1]
["961-29-5","isoliquiritigenin;2',4,4'-trihydroxychalcone;2',4,4'-trihydroxychalcone‡","C(=O)(c1c(O)cc(O)cc1)C=Cc1ccc(O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 102","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Alkylbenzenes (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["1675-54-3","bisphenol a diglycidyl ether;diglycidyl ether of bisphenol a;oxirane, 2,2'- (1-methylethylidene)bis(4,1-phenyleneoxymethylene) bis-;2,2'-[(1-methylethylidene)bis(4,1-phenyleneoxymethylene)]bisoxirane;oxirane, 2,2’-[(1-methylethylidene)bis(4,1-phenyleneoxymethylene)]bis-;oxirane, 2,2'-[(1-methylethylidene)bis(4,1-phenyleneoxymethylene)]bis-;propane, 2,2-bis(p-(2,3-epoxypropoxy)phenyl)-;oxirane, 2,2'-((1-methylethylidene)bis(4,1-phenyleneoxymethylene))bis-;2,2-bis(4-glycidyloxyphenyl)propane;2,2'-[propane-2,2-diylbis(4,1-phenyleneoxymethylene)]dioxirane;bisphenol a-diglycidyl ether;bisphenol a-diglycidyl ether dgeba;1675-54-3","c1(C(C)(C)c2ccc(OCC3CO3)cc2)ccc(OCC2CO2)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides",1,"Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Epoxides and aziridines",1,"Epoxides and aziridines|H-acceptor-path3-H-acceptor",1]
["78-85-3","2-methyl-2-propenal;methacrolein;2-propenal, 2-methyl-;methacrylaldehyde;2-methylprop-2-enal","C(=C)(C)C=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Michael addition|Michael addition >> alpha, beta-unsaturated carabonyl compounds|Michael addition >> alpha, beta-unsaturated carabonyl compounds >> Alpha, Beta-Unsaturated Aldehydes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Alpha, Beta-Unsaturated Aldehydes",1,"Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated aldehydes",1,"alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Michael addition|Michael addition >> alpha, beta-unsaturated carabonyl compounds|Michael addition >> alpha, beta-unsaturated carabonyl compounds >> Alpha, Beta-Unsaturated Aldehydes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Alpha, Beta-Unsaturated Aldehydes",1,"alpha,beta-unsaturated carbonyls",1,"alpha,beta-unsaturated carbonyls",1]
["78-88-6","2,3-dichloro-1-propene;2,3-dichloropropene;1-propene, 2,3-dichloro-;2,3-dichloropropylene;2,3-dichloroprop-1-ene;2,3dichloropropene;propene, 2,3-dichloro-","C(=C)(Cl)CCl","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives",1,"No alert found",0,"Aliphatic halogens (Genotox)|Monohaloalkene (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives",1,"Aliphatic halogens|Monohaloalkene",1,"Aliphatic halogen|Monohaloalkene",1]
["79-08-3","monobromoacetic acid;bromo-acetic acid;bromoacetic acid;bromoacetic acid, 2-;acetic acid, bromo-;79-08-3","C(=O)(O)CBr","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups",1,"No alert found",0,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups",1,"Aliphatic halogens",1,"Aliphatic halogen|H-acceptor-path3-H-acceptor",1]
["80-48-8","methyl-4-toluene sulfonate;benzenesulfonic acid, 4-methyl-, methyl ester;methyl toluene-4-sulphonate;methyl 4-toluene sulfonate;methyl 4-methylbenzenesulfonate;80-48-8","c1(S(=O)(=O)OC)ccc(C)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Sulfonates and Sulfates",1,"No alert found",0,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid (Genotox)|Benzenesulfonic ethers, methylation (Nongenotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Sulfonates and Sulfates",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid|H-acceptor-path3-H-acceptor",1]
["82-05-3","7h-benzo[de]anthracen-7-one;7h-benz[de]anthracen-7-one;benzanthrone;benzo[de]anthracen-7-one;benz[de]anthracen-7-one;7h-benz de anthracen-7-one;7h-benzХdeеanthracen-7-one;7h-benz(de)anthracen-7-one","c12C(=O)c3c(-c4c1c(ccc4)ccc2)cccc3","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0]
["89-61-2","benzene, 1,4-dichloro-2-nitro-;2.5-dichloronitrobenzene;2,5-dichloronitrobenzene;1,4-dichloro-2-nitrobenzene;benzene, 1,4-dichloro-2-nitro;89-61-2","c1(Cl)c(N(=O)=O)cc(Cl)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"Nitro-aromatic",1]
["91-63-4","2-methylquinoline  (quinaldine);2-methylquinoline;2-methyl-quinoline;quinaldine;quinoline, 2-methyl-;91-63-4","c12c(ccc(C)n1)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0]
["98-88-4","benzoic acid;benzoyl chloride;chloride;98-88-4","C(=O)(Cl)c1ccccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Direct acylation involving a leaving group|SN2 >> Direct acylation involving a leaving group >> Acyl Halides",1,"Acylation|Acylation >> Direct Addition of an Acyl Halide|Acylation >> Direct Addition of an Acyl Halide >> Acyl halide",1,"Acyl halides (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct acylation involving a leaving group|SN2 >> Direct acylation involving a leaving group >> Acyl Halides",1,"Acyl halides",1,"Acyl halides",1]
["99-54-7","benzene, 1,2-dichloro-4-nitro-;3,4-dichloronitrobenzene;1,2-dichloro-4-nitrobenzene;4-nitrobenzene, 1,2-dichloro-;99-54-7","c1(Cl)c(Cl)cc(N(=O)=O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"Nitro-aromatic",1]
["106-90-1","glycidyl acrylate;2,3-epoxypropyl acrylate;2-propenoic acid, oxiranylmethyl ester;acrylic acid, 2,3-epoxypropyl ester;oxiran-2-ylmethyl acrylate;106-90-1","C(=O)(C=C)OCC1CO1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated esters|SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides",1,"Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Epoxides and aziridines",1,"Epoxides and aziridines|H-acceptor-path3-H-acceptor",1]
["106-91-2","glycidyl methacrylate;2-propenoic acid, 2-methyl-, 2-oxiranylmethyl ester;2,3-epoxypropyl methacrylate;2-propenoic acid, 2-methyl-, oxiranylmethyl ester;2-propenoic acid, 2-methyl-, oxiranylmethyl estervan;methacrylic acid, 2,3-epoxypropyl ester;oxiran-2-ylmethyl methacrylate;oxiran-2-ylmethyl 2-methylprop-2-enoate;106-91-2","C(=O)(C(=C)C)OCC1CO1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated esters|SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides",1,"Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Epoxides and aziridines",1,"Epoxides and aziridines|H-acceptor-path3-H-acceptor",1]
["122-57-6","3-buten-2-one, 4-phenyl-;methyl styryl ketone;4-phenyl-3-buten-2-one;ketone, methyl styryl;4-phenylbutenone;benzylideneacetone;4-phenylbut-3-en-2-one;4phenylbut3en2one(benzylidene acetone);benzylidene acetone;benzylidene acetone (4-phenyl-3-buten-2-one);122-57-6","C(C)(=O)C=Cc1ccccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0]
["129-79-3","2,4,7-trinitrofluoren-9-one;9h-fluoren-9-one, 2,4,7-trinitro-;2,4,7-trinitro-fluoren-9-one;fluoren-9-one, 2,4,7-trinitro-;2,4,7-trinitro-9h-fluoren-9-one;trinitrofluorenone","c12C(=O)c3c(c(N(=O)=O)cc(N(=O)=O)c3)-c1ccc(N(=O)=O)c2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",{"$f":"IF(W259=\"No alert found\",0,1)","v":1},"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",{"$f":"IF(AA259=\"No alert found\",0,1)","v":1},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",{"$f":"IF(AC259=\"No alert found\",0,1)","v":1},"Nitro-aromatic|Polycyclic Aromatic Hydrocarbons",{"$f":"IF(AE259=\"No alert found\",0,1)","v":1},"Nitro-aromatic|Polycyclic Aromatic Hydrocarbons",{"$f":"IF(AG259=\"No alert found\",0,1)","v":1}]
["137-05-3","methyl 2-cyanoacrylate;methyl 2-cyano-2-propenoate;mecrilate;2-propenoic acid, 2-cyano-, methyl ester;mecrylate [usan];mecrylate;137-05-3","C(=O)(C(=C)C#N)OC","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated esters",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["139-59-3","4-phenoxyaniline;4-aminodiphenyl ether;p-phenoxyaniline;benzenamine, 4-phenoxy-;aniline, p-phenoxy-","c1(Oc2ccccc2)ccc(N)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"1-phenoxy-benzene|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["584-84-9","benzene, 2,4-diisocyanato-1-methyl-;toluene, 2-, diisocyanate;toluene-2,4-diisocyanate;2,4-toluene diisocyanate;toluene diisocyanate (tdi);4-methyl-m-phenylene diisocyanate;isocyanic acid, 4-methyl-m-phenylene ester;toluene 2,4-diisocyanate;2,4-diisocyanato-1-methylbenzene;4methylmphenylenediisocyanate(toluene 2,4diisocyanate);2,4-diisocyanate-1-methylbenzene;isocyanic acid, 4-methyl-m-phenylene ester (8ci);584-84-9","c1(C)c(N=C=O)cc(N=C=O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Acylation|Acylation >> Isocyanates and Isothiocyanates|Acylation >> Isocyanates and Isothiocyanates >> Isocyanates",1,"Isocyanate and isothiocyanate groups (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Isocyanate and isothiocyanate groups|Primary aromatic amine,hydroxyl amine and its derived esters",1,"Isocyanate and isothiocyanate groups|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["607-30-7","alpha-naphthylhydroxylamine;1-naphthalenamine, n-hydroxy- (9ci)","c1(NO)c2c(cccc2)ccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> N-hydroxylamines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic N-hydroxylamines",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> N-hydroxylamines",1,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["610-39-9","benzene, 4-methyl-1,2-dinitro-;3,4-dinitrotoluene;1,2-dino2 4-methyl benzene;toluene, 3,4-dinitro-;4-methyl-1,2-dinitrobenzene;3,4dinitrotoluene;5-methyl-1,2-dinitrobenzene","c1(N(=O)=O)c(N(=O)=O)cc(C)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["930-37-0","methyl glycidyl ether;oxirane, (methoxymethyl)-;(methoxymethyl)oxirane;propane, 1,2-epoxy-3-methoxy-;2-(methoxymethyl)oxirane;denacol ex-131;930-37-0","C1(COC)CO1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides",1,"Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Epoxides and aziridines",1,"Epoxides and aziridines|H-acceptor-path3-H-acceptor",1]
["2224-15-9","1,2-bis(2,3-epoxypropoxy)ethane;bis(1,2-epoxypropylether)ethanediol;2,2'-[ethylenebis(oxymethylene)]bisoxirane;oxirane, 2,2'-[1,2-ethanediylbis(oxymethylene)]bis-;oxirane, 2,2'- 1,2-ethanediylbis(oxymethylene) bis-;ethane, 1,2-bis(2,3-epoxypropoxy)-;oxirane, 2,2'-Х1,2-ethanediylbis(oxymethylene)еbis-;2,2'-[ethane-1,2-diylbis(oxymethanediyl)]dioxirane;oxirane, 2,2'-(1,2-ethanediylbis(oxymethylene))bis-;2224-15-9","C1(COCCOCC2CO2)CO1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides",1,"Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Epoxides and aziridines",1,"Epoxides and aziridines|H-acceptor-path3-H-acceptor",1]
["4067-16-7","pentaethylenehexamine;3,6,9,12-tetraazatetradecamethylenediamine;3,6,9,12-tetraazatetradecane-1,14-diamine","C(N)CNCCNCCNCCNCCN","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Schiff base formers|Schiff base formers >> Chemicals Activated by P450 to Glyoxal |Schiff base formers >> Chemicals Activated by P450 to Glyoxal  >> Ethylenediamines (including piperazine)",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["4170-30-3","crotonaldehyde;2-butenal;(2e)-but-2-enal;but-2-enal;4170-30-3","C(=O)C=CC","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Michael addition|Michael addition >> alpha, beta-unsaturated carabonyl compounds|Michael addition >> alpha, beta-unsaturated carabonyl compounds >> Alpha, Beta-Unsaturated Aldehydes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Alpha, Beta-Unsaturated Aldehydes",1,"Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated aldehydes",1,"alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Michael addition|Michael addition >> alpha, beta-unsaturated carabonyl compounds|Michael addition >> alpha, beta-unsaturated carabonyl compounds >> Alpha, Beta-Unsaturated Aldehydes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Alpha, Beta-Unsaturated Aldehydes",1,"alpha,beta-unsaturated carbonyls",1,"alpha,beta-unsaturated carbonyls",1]
["123-77-3","1,2-diazenedicarboxamide;azodicarbonamide;diazenedicarboxamide;azodicarboxamide;c,c'-azodi(formamide);formamide, 1,1'-azobis-;(e)-diazene-1,2-dicarboxamide;1,1'-azobisformamide;diazene-1,2-dicarboxamide","C(N)(=O)N=NC(N)=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"Michael addition|Michael addition >> Polarised Azo Compounds|Michael addition >> Polarised Azo Compounds >> Azocarbonamides",1,"Aliphatic azo and azoxy (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"Aliphatic azo and azoxy",1,"Aliphatic azo and azoxy|H-acceptor-path3-H-acceptor",1]
["206-44-0","fluoranthene;flouranthene;fluroanthene;206-44-0","c12c3c(c4c(c3ccc1)cccc4)ccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1]
["50-65-7","niclosamide;5-chloro-n-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide;benzamide, 5-chloro-n-(2-chloro-4-nitrophenyl)-2-hydroxy-;50-65-7","C(=O)(c1c(O)ccc(Cl)c1)Nc1c(Cl)cc(N(=O)=O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Halogenated benzene (Nongenotox)|Nitro-aromatic (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["51-12-7","nialamide;n-benzyl-3-[2-(pyridin-4-ylcarbonyl)hydrazinyl]propanamide;4-pyridinecarboxylic acid, 2-(3-oxo-3-((phenylmethyl)amino)propyl)hydrazide (9ci)","C(=O)(c1ccncc1)NNCCC(=O)NCc1ccccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes",1,"Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Hydrazine",1,"H-acceptor-path3-H-acceptor|Hydrazine",1]
["51-18-3","2,4,6-tris(1-aziridinyl)-s-triazine;2,4,6-tris(1-aziridinyl)-1,3,5-triazine;tretamine;triethylenemelamine;2,4,6-tris(aziridin-1-yl)-1,3,5-triazine;tretamine(inn);1,3,5-triazine, 2,4,6-tris(1-aziridinyl)-","c1(N2CC2)nc(N2CC2)nc(N2CC2)n1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Aziridines",1,"Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Epoxides and aziridines",1,"Epoxides and aziridines",1]
["22349-59-3","1,4-dimethylphenanthrene;phenanthrene, 1,4-dimethyl-","c12c(c3c(c(C)ccc3C)cc1)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1",1,"Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1]
["589-41-3","n-hydroxyurethane;ethyl hydroxycarbamate","C(=O)(NO)OCC","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> N-hydroxylamines",1,"No alert found",0,"No alert found",0,"SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> N-hydroxylamines",1,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["930-22-3","3,4-epoxy-1-butene;oxirane, ethenyl-;3,4-epoxybut-1-ene;1,2-epoxy-3-butene;2-ethenyloxirane;1-butene, 3,4-epoxy-","C(=C)C1CO1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides",1,"Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Epoxides and aziridines",1,"Epoxides and aziridines",1]
["154-93-8","n,n'-bis(2-chloroethyl)-n-nitrosourea;carmustine;1,3-bis(2-chloroet)-1-nitrosourea;urea, n,n'-bis(2-chloroethyl)-n-nitroso-;1,3-bis(2-chloroethyl)-1-nitrosourea;154-93-8","C(=O)(N(CCCl)N=O)NCCCl","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives|SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Nitrogen Mustards",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> Mustards|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2",1,"Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"Alkyl and aryl N-nitroso groups",1,"Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor",1]
["63-75-2","arecoline;1-methyl-1,2,5,6-tetrahydro-pyridine-3-carboxylic acid methyl ester;arecoline hydrochloride;methyl 1-methyl-1,2,5,6-tetrahydropyridine-3-carboxylate;3-pyridinecarboxylic acid, 1,2,5,6-tetrahydro-1-methyl-, methyl ester;me ester;1,2,5,6-tetrahydro-1-methyl-3-pyridinecarboxylic acid","C(=O)(C1=CCCN(C)C1)OC","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated esters|SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["117-02-2","rubiadin;9,10-anthracenedione, 1,3-dihydroxy-2-methyl-","c12C(=O)c3c(C(=O)c1c(O)c(C)c(O)c2)cccc3","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Alkyl phenols",1,"Quinones (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones",1,"Quinones",1,"H-acceptor-path3-H-acceptor|Quinones",1]
["119-26-6","2,4-dinitrophenylhydrazine;(2,4-dinitro-phenyl)-hydrazine;hydrazine, (2,4-dinitrophenyl)-;(2,4-dinitrophenyl)hydrazine","c1(NN)c(N(=O)=O)cc(N(=O)=O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Nucleophilic addition|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization >> Hydrazine Derivatives|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Hydrazine Derivatives|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Hydrazine|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Hydrazine (Genotox)|Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Nucleophilic addition|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization >> Hydrazine Derivatives|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Hydrazine Derivatives|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Hydrazine|Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Hydrazine|Nitro-aromatic",1]
["202-33-5","benz[j]aceanthrylene;benz(j)aceanthrylene","c12c(c3c(c4c5c(C=C4)cccc5c3)cc1)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1",1,"Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1]
["211-91-6","benz[l]aceanthrylene;benz(l)aceanthrylene","c12c(c3c4c5c(C=C4)cccc5cc3cc1)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1",1,"Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1]
["218-01-9","chrysene;chrysene benzophenanthrene","c12c(c3c(c4c(cccc4)cc3)cc1)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1",1,"Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1]
["394-68-3","8-fluoroquinoline;quinoline, 8-fluoro-","c1(F)c2c(cccn2)ccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Moderate Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"No alert found",0]
["394-69-4","5-fluoroquinoline;quinoline, 5-fluoro-","c1(F)c2c(ccc1)nccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"No alert found",0]
["394-70-7","4-fluoroquinoline;quinoline, 4-fluoro-","c1(F)c2c(cccc2)ncc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0]
["396-30-5","6-fluoroquinoline;quinoline, 6-fluoro-","c12c(cc(F)cc1)cccn2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"No alert found",0]
["396-32-7","7-fluoroquinoline;quinoline, 7-fluoro-","c12c(cc(F)cc1)nccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"No alert found",0]
["478-08-0","lucidin;anthraquinone, 1,3-dihydroxy-2-hydroxymethyl-;9,10-anthracenedione, 1,3-dihydroxy-2-(hydroxymethyl)- (9ci);1,3-dihydroxy-2-hydroxymethylanthraquinone","c12C(=O)c3c(C(=O)c1c(O)c(CO)c(O)c2)cccc3","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones",1,"No alert found",0,"Quinones (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones",1,"Quinones",1,"H-acceptor-path3-H-acceptor|Quinones",1]
["481-49-2","cepharanthine;oxyacanthan, 6',12'-dimethoxy-2,2'-dimethyl-6,7-(methylenebis(oxy))- (9ci);481-49-2","c12c(c3c4c(c1)CCN(C)C4Cc1ccc(cc1)Oc1c(OC)ccc(c1)CC1c4c(cc(OC)c(c4)O3)CCN1C)OCO2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"1,3-Benzodioxoles (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"1-phenoxy-benzene|H-acceptor-path3-H-acceptor",1]
["491-35-0","4-methylquinoline;4-methyl-quinoline;van;quinoline, 4-methyl-;lepidine","c1(C)c2c(cccc2)ncc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0]
["611-22-3","n-hydroxy-o-toluidine;n-o-tolyl-hydroxylamine;benzenamine, n-hydroxy-2-methyl-;benzenamine, n-hydroxy-2-methyl- (9ci)","c1(NO)c(C)cccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> N-hydroxylamines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic N-hydroxylamines",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> N-hydroxylamines",1,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["620-25-7","n-(m-tolyl)hydroxylamine;benzenamine, n-hydroxy-3-methyl- (9ci)","c1(NO)cc(C)ccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> N-hydroxylamines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic N-hydroxylamines",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> N-hydroxylamines",1,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["621-90-9","4-(methylamino)azobenzene;benzenamine, n-methyl-4-(phenylazo)- (9ci)","c1(NC)ccc(N=Nc2ccccc2)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic azo|SN1 >> Nitrenium Ion formation >> Secondary aromatic amine",1,"Aromatic diazo (Genotox)|Aromatic mono-and dialkylamine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aromatic diazo|Aromatic mono-and dialkylamine",1,"Aromatic diazo|Aromatic mono- and dialkylamine|H-acceptor-path3-H-acceptor",1]
["623-10-9","n-(p-tolyl)hydroxylamine;n-p-tolyl-hydroxylamine;benzenamine, n-hydroxy-4-methyl-;benzenamine, n-hydroxy-4-methyl-(9ci)","c1(NO)ccc(C)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Moderate Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> N-hydroxylamines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic N-hydroxylamines",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> N-hydroxylamines",1,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["766-40-5","3,4-dichloro-5-hydroxy-2(5h)-furanone;3,4-dichloro-5-hydroxyfuran-2(5h)-one","C1(=O)C(Cl)=C(Cl)C(O)O1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Acylation|Acylation >> Acyl transfer via nucleophilic addition reaction|Acylation >> Acyl transfer via nucleophilic addition reaction >> Haloalkenes with Electron-Withdrawing Groups|SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Haloalkenes with Electron-Withdrawing Groups|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Haloalkenes with Electron-Withdrawing Groups|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives",1,"No alert found",0,"alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Acylation|Acylation >> Acyl transfer via nucleophilic addition reaction|Acylation >> Acyl transfer via nucleophilic addition reaction >> Haloalkenes with Electron-Withdrawing Groups|SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Haloalkenes with Electron-Withdrawing Groups|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Haloalkenes with Electron-Withdrawing Groups|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives",1,"alpha,beta-unsaturated carbonyls",1,"alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor",1]
["832-69-9","1-methylphenanthrene;1-methyl phenanthrene;phenanthrene, 1-methyl-","c1(C)c2c(c3c(cccc3)cc2)ccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1",1,"Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1]
["1165-39-5","aflatoxin g1;(7ar,cis)3,4,7a,10a-tetrahydro-5-methoxy-1h,12h-furo[3',2':4,5]furo[2,3-h]pyrano[3,4-c]chromene-1,12-dione;5-methoxy-3,4,7a,10a-tetrahydro-1h,12h-furo[3',2':4,5]furo[2,3-h]pyrano[3,4-c]chromene-1,12-dione;1h,12h-furo(3',2':4,5)furo(2,3-h)pyrano(3,4-c)(1)benzopyran-1,12-dione, 3,4,7a,10a-tetrahydro-5-methoxy-, (7ar,10as)-;aflatoxin g<sub>1</sub>","C1(=O)C2C(=O)Oc3c4c(cc(OC)c3C=2CCO1)OC1C4C=CO1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Generation of reactive oxygen species|Radical >> Generation of reactive oxygen species >> Coumarins|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Coumarins",1,"No alert found",0,"Coumarins and Furocoumarins (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Coumarins and Furocoumarins",1,"1,3-dialkoxy-benzene|Coumarins and Furocoumarins|H-acceptor-path3-H-acceptor",1]
["1484-12-4","n-methylcarbazole;9-methylcarbazole;9h-carbazole, 9-methyl-;9-methylcarbazole, 99%;9-methyl-9h-carbazole;9h-carbazole, 9-methyl- (9ci)","c12-c3c(cccc3)N(C)c1cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Heterocyclic Polycyclic Aromatic Hydrocarbons",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons",1]
["2381-21-7","1-methylpyrene;pyrene, 1-methyl-","c12c3c4c(c(C)ccc4ccc3ccc1)cc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality, Conflict","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"No alert found",0,"Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1]
["2523-37-7","9-methylfluorene;9-methyl-9h-fluorene;9h-fluorene, 9-methyl- (9ci);9-methyl-9<i>h</i>-fluorene","c12-c3c(C(C)c1cccc2)cccc3","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1]
["2562-38-1","nitrocyclopentane","C1(N(=O)=O)CCCC1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0]
["2642-98-0","6-aminochrysene;chrysen-6-ylamine;chrysen-6-amine","c1(N)c2c(c3c(c4c(cccc4)cc3)c1)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Polycyclic Aromatic Hydrocarbons (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons|Primary aromatic amine,hydroxyl amine and its derived esters",1,"Polycyclic Aromatic Hydrocarbons|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["3697-24-3","5-methylchrysene;chrysene, 5-methyl-","c12c(c3c(c4c(cc3C)cccc4)cc1)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Moderate Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1",1,"Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1]
["5694-00-8","glycidamide;oxirane-2-carboxamide","C(N)(=O)C1CO1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides",1,"Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Epoxides and aziridines",1,"Epoxides and aziridines|H-acceptor-path3-H-acceptor",1]
["7220-81-7","aflatoxin b2;2,3,6a±,8,9,9a±-hexahydro-4-methoxycyclopenta[c]furo[2',3':4,5]furo[2,3-h]chromene-1,11-dione;2,3,6a?,8,9,9a?-hexahydro-4-methoxycyclopenta[c]furo[2',3':4,5]furo[2,3-h]chromene-1,11-dione;4-methoxy-2,3,6a,8,9,9a-hexahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromene-1,11-dione;(6ar-cis)-2,3,6a,8,9,9a-hexahydro-4-methoxy cyclopenta[c]furo[3',2':4,5]furo[2,3-h][1]benzopyran-1,11-dione;cyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-1,11-dione, 2,3,6a-alpha,8,9,9a-alpha-hexahydro-4-methoxy-;aflatoxin b<sub>1</sub>;(-)-form, 15,16-dihydro","C1(=O)C2C(=O)CCC=2c2c(c3c(cc2OC)OC2C3CCO2)O1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Generation of reactive oxygen species|Radical >> Generation of reactive oxygen species >> Coumarins|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Coumarins",1,"No alert found",0,"Coumarins and Furocoumarins (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Coumarins and Furocoumarins",1,"1,3-dialkoxy-benzene|Coumarins and Furocoumarins|H-acceptor-path3-H-acceptor|Oxolane",1]
["12789-03-6","chlordane;chlordane-technical;chlordane (technical);chlordane (technical grade)","C12(Cl)C(Cl)(Cl)C(Cl)(C(Cl)=C1Cl)C1C(Cl)C(Cl)CC21","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation >> Vicinal Dihaloalkanes|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives",1,"SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> 1,2-Dihaloalkanes",1,"(Poly) Halogenated Cycloalkanes (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives",1,"No alert found",0,"No alert found",0]
["17057-98-6","1,9-dimethylfluorene;fluorene, 1,9-dimethyl-","c12-c3c(c(C)ccc3)C(C)c1cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1]
["17309-86-3","5-dimethylaminophenylazoindole;1h-indazole, 5-((p-(dimethylamino)phenyl)azo)-","c12c(C=NN1)cc(N=Nc1ccc(N(C)C)cc1)cc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic azo|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine",1,"Aromatic diazo (Genotox)|Aromatic mono-and dialkylamine (Genotox)|Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aromatic diazo|Aromatic mono-and dialkylamine|Hydrazine",1,"Aromatic diazo|Aromatic mono- and dialkylamine|H-acceptor-path3-H-acceptor|Hydrazine",1]
["18463-85-9","6-((p-(dimethylamino)phenyl)azo)benzothiazole;benzenamine, 4-(6-benzothiazolylazo)-n,n-dimethyl- (9ci)","c12c(cc(N=Nc3ccc(N(C)C)cc3)cc1)SC=N2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic azo|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine",1,"Aromatic diazo (Genotox)|Aromatic mono-and dialkylamine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aromatic diazo|Aromatic mono-and dialkylamine",1,"Aromatic diazo|Aromatic mono- and dialkylamine|H-acceptor-path3-H-acceptor",1]
["23511-78-6","1,1,3-tribromopropane;propane, 1,1,3-tribromo-","C(Br)(Br)CCBr","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes",1,"Acylation|Acylation >> P450 Mediated Activation to Acyl Halides|Acylation >> P450 Mediated Activation to Acyl Halides >> 1,1-Dihaloalkanes|SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides",1,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes",1,"Aliphatic halogens",1,"Aliphatic halogen",1]
["23696-28-8","olaquindox;n-(2-hydroxyethyl)-3-methylquinoxaline-2-carboxamide 1,4-dioxide;2-quinoxalinecarboxamide, n-(2-hydroxyethyl)-3-methyl-, 1,4-dioxide;n-(2-hydroxyethyl)-3-methyl-2-quinoxalinecarboxamide, 1,4-dioxide","C(=O)(c1c(C)n(=O)c2c(cccc2)n1=O)NCCO","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Aromatic ring N-oxide (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aromatic ring N-oxide",1,"Aromatic ring N-oxide|H-acceptor-path3-H-acceptor",1]
["33804-48-7","n-[4-[[4-(dimethylamino]phenyl]azo]phenyl]-n-methylacetamide;acetamide, n-(4-((4-(dimethylamino)phenyl)azo)phenyl)-n-methyl-","c1(N=Nc2ccc(N(C)C)cc2)ccc(N(C)C(C)=O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic azo|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine",1,"Aromatic diazo (Genotox)|Aromatic mono-and dialkylamine (Genotox)|Aromatic N-acyl amine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aromatic diazo|Aromatic mono-and dialkylamine|Aromatic N-acyl amine",1,"Aromatic diazo|Aromatic mono- and dialkylamine|Aromatic N-acyl amine|H-acceptor-path3-H-acceptor",1]
["35282-68-9","3'-hydroxymethyl-n,n-dimethyl-4-aminoazobenzene;benzenemethanol, 2-((4-(dimethylamino)phenyl)azo)- (9ci)","c1(N=Nc2ccc(N(C)C)cc2)c(CO)cccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic azo|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine",1,"Aromatic diazo (Genotox)|Aromatic mono-and dialkylamine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aromatic diazo|Aromatic mono-and dialkylamine",1,"Aromatic diazo|Aromatic mono- and dialkylamine|H-acceptor-path3-H-acceptor",1]
["35282-72-5","4-[[3-(chloromethyl)phenyl]azo]-n,n-dimethylbenzenamine;benzenamine, 4-((3-(chloromethyl)phenyl)azo)-n,n-dimethyl-","c1(N=Nc2ccc(N(C)C)cc2)cc(CCl)ccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic azo|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine|SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides",1,"Aliphatic halogens (Genotox)|Aromatic diazo (Genotox)|Aromatic mono-and dialkylamine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups",1,"Aliphatic halogens|Aromatic diazo|Aromatic mono-and dialkylamine",1,"Aliphatic halogen|Aromatic diazo|Aromatic mono- and dialkylamine|H-acceptor-path3-H-acceptor",1]
["39208-00-9","4-[[4-(dimethylamino)phenyl]azo]benzaldehyde;benzaldehyde, 4-((4-(dimethylamino)phenyl)azo)-","c1(C=O)ccc(N=Nc2ccc(N(C)C)cc2)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic azo|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine",1,"Aromatic diazo (Genotox)|Aromatic mono-and dialkylamine (Genotox)|Simple aldehyde (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aromatic diazo|Aromatic mono-and dialkylamine|Simple aldehyde",1,"Aromatic diazo|Aromatic mono- and dialkylamine|H-acceptor-path3-H-acceptor|Simple aldehyde",1]
["53499-68-6","n-methyl-n-[4-[[4-(methylamino)phenyl]azo]phenyl]acetamide;n-methyl-n-(4-((4-(methylamino)phenyl)azo)phenyl)acetamide","c1(N=Nc2ccc(NC)cc2)ccc(N(C)C(C)=O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic azo|SN1 >> Nitrenium Ion formation >> Secondary aromatic amine",1,"Aromatic diazo (Genotox)|Aromatic mono-and dialkylamine (Genotox)|Aromatic N-acyl amine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aromatic diazo|Aromatic mono-and dialkylamine|Aromatic N-acyl amine",1,"Aromatic diazo|Aromatic mono- and dialkylamine|Aromatic N-acyl amine|H-acceptor-path3-H-acceptor",1]
["60129-67-1","2,2'-((4-((2,4-dinitrophenyl)azo)phenyl)imino)bis(ethanol);dis. a. 14;2,2'-[[4-[(2,4-dinitrophenyl)azo]phenyl]imino]bisethanol;2,2'-({4-[(2,4-dinitrophenyl)diazenyl]phenyl}imino)diethanol;2,2'-((4-((2,4-dinitrophenyl)azo)phenyl)imino)bisethanol","c1(N=Nc2ccc(N(CCO)CCO)cc2)c(N(=O)=O)cc(N(=O)=O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic azo|SN1 >> Nitrenium Ion formation >> Aromatic nitro|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine",1,"Aromatic diazo (Genotox)|Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Aromatic diazo|Nitro-aromatic",1,"Aromatic diazo|H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["68006-83-7","2-amino-3-methyl-9h-pyrido[2,3-b]indole;2-amino-3-methyl-9h-pyrido[2,3-b]indole acetate;9h-pyrido(2,3-b)indole, 2-amino-3-methyl-","c12-c3c(cccc3)Nc1nc(N)c(C)c2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Moderate Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"No alert found",0,"Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Heterocyclic Polycyclic Aromatic Hydrocarbons|Primary aromatic amine,hydroxyl amine and its derived esters",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["70458-92-3","pefloxacin;1-ethyl-6-fluoro-7-(4-methyl-piperazin-1-yl)-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid;pefloxacine;1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid;3-quinolinecarboxylic acid, 1,4-dihydro-1-ethyl-6-fluoro-7-(4-methyl-1-piperazinyl)-4-oxo-","C(=O)(O)C1C(=O)c2c(cc(N3CCN(C)CC3)c(F)c2)N(CC)C=1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 102","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine",1,"alpha,beta-unsaturated carbonyls (Genotox)|Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"No alert found",0,"alpha,beta-unsaturated carbonyls",1,"alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor",1]
["73870-33-4","n-nitrosothiazolidine;thiazolidine, 3-nitroso-;73870-33-4","C1CN(N=O)CS1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2",1,"Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"Alkyl and aryl N-nitroso groups",1,"Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor",1]
["78914-74-6","2-[[4-(dimethylamino)phenyl]azo]benzenemethanol, acetate ester;benzenemethanol, 2-((4-(dimethylamino)phenyl)azo)-, acetate (ester)","c1(N=Nc2ccc(N(C)C)cc2)c(COC(C)=O)cccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Specific Acetate Esters|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Specific Acetate Esters|SN2|SN2 >> Acylating agents|SN2 >> Acylating agents >> Specific Acetate Esters|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Specific Acetate Esters",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic azo|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine",1,"Aromatic diazo (Genotox)|Aromatic mono-and dialkylamine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Specific Acetate Esters|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Specific Acetate Esters|SN2|SN2 >> Acylating agents|SN2 >> Acylating agents >> Specific Acetate Esters|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Specific Acetate Esters",1,"Aromatic diazo|Aromatic mono-and dialkylamine",1,"Aromatic diazo|Aromatic mono- and dialkylamine|H-acceptor-path3-H-acceptor",1]
["82419-36-1","ofloxacin;8-fluoro-3-methyl-9-(4-methyl-piperazin-1-yl)-6-oxo-2,3-dihydro-6h-1-oxa-3a-aza-phenalene-5-carboxylic acid;9-fluoro-2,3-dihydro-3-methyl-10-(4-methyl-1-piperazinyl)-7-oxo-7h-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid;7h-pyrido(1,2,3-de)-1,4-benzoxazine-6-carboxylic acid, 2,3-dihydro-9-fluoro-3-methyl-10-(4-methyl-1-piperazinyl)-7-oxo-, (+-)-","C(=O)(O)C1C(=O)c2c3c(c(N4CCN(C)CC4)c(F)c2)OCC(C)N3C=1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 102","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",{"$f":"IF(W323=\"No alert found\",0,1)","v":0},"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",{"$f":"IF(AA323=\"No alert found\",0,1)","v":1},"No alert found",{"$f":"IF(AC323=\"No alert found\",0,1)","v":0},"No alert found",{"$f":"IF(AE323=\"No alert found\",0,1)","v":0},"H-acceptor-path3-H-acceptor",{"$f":"IF(AG323=\"No alert found\",0,1)","v":1}]
["85721-33-1","ciprofloxacin;1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,4-dihydro-quinoline-3-carboxylic acid;3-quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-;1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid","C(=O)(O)C1C(=O)c2c(cc(N3CCNCC3)c(F)c2)N(C2CC2)C=1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 102","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine",1,"Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["112309-61-2","3-chloro-4-methyl-5-hydroxy-2(5h)-furanone;3-chloro-4-methyl-5-hydroxy-2(5h)­furanone (mcf);2(5h)-furanone, 3-chloro-5-hydroxy-4-methyl-","C1(=O)C(Cl)=C(C)C(O)O1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Moderate Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives",1,"No alert found",0,"alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives",1,"alpha,beta-unsaturated carbonyls",1,"alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor",1]
["53-94-1","n-hydroxy-2-aminofluorene;hydroxylamine, n-fluoren-2-yl-;9h-fluoren-2-amine, n-hydroxy- (9ci)","c12-c3c(cc(NO)cc3)Cc1cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> N-hydroxylamines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic N-hydroxylamines",1,"Polycyclic Aromatic Hydrocarbons (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> N-hydroxylamines",1,"Polycyclic Aromatic Hydrocarbons|Primary aromatic amine,hydroxyl amine and its derived esters",1,"H-acceptor-path3-H-acceptor|Polycyclic Aromatic Hydrocarbons|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["107-04-0","1-bromo-2-chloroethane;ethane, 1-bromo-2-chloro-;1-chloro-2-bromoethane;107-04-0","C(Br)CCl","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation >> Vicinal Dihaloalkanes",1,"SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> 1,2-Dihaloalkanes",1,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aliphatic halogens",1,"Aliphatic halogen",1]
["613-47-8","2-hydroxylaminonaphthalene;hydroxylamine, n-2-naphthyl-;2-naphthalenamine, n-hydroxy- (9ci)","c12c(cc(NO)cc1)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> N-hydroxylamines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic N-hydroxylamines",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> N-hydroxylamines",1,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["619-15-8","2,5-dinitrotoluene;benzene, 2-methyl-1,4-dinitro-;toluene, 2,5-dinitro-;2-methyl-1,4-dinitrobenzene;2,5dinitrotoluene","c1(N(=O)=O)c(C)cc(N(=O)=O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"Nitro-aromatic",1]
["926-06-7","2-propanol;isopropyl methanesulfonate;isopropylmethanesulfonate;isopropyl methanesulphonate;methanesulfonic acid, 1-methylethyl ester;propan-2-yl methanesulfonate;methanesulfonyl","C(C)(C)OS(C)(=O)=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Sulfonates and Sulfates",1,"SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Sulfonates",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Sulfonates and Sulfates",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid|H-acceptor-path3-H-acceptor",1]
["7496-02-08","6-nitrochrysene","c1(N(=O)=O)c2c(c3c(c4c(cccc4)cc3)c1)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Nitro-aromatic|Polycyclic Aromatic Hydrocarbons",1,"Nitro-aromatic|Polycyclic Aromatic Hydrocarbons",1]
["13010-47-4","n-(2-chloroethyl)-n'-cyclohexyl-n-nitrosourea;lomustine;1-n=o-1-(2-clet)-3-cyclohexylurea;urea, n-(2-chloroethyl)-n'-cyclohexyl-n-nitroso-;1-(2-chloroethyl)-3-cyclohexyl-1-nitrosourea;13010-47-4","C(=O)(N(CCCl)N=O)NC1CCCCC1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives|SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Nitrogen Mustards",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> Mustards|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2",1,"Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"Alkyl and aryl N-nitroso groups",1,"Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor",1]
["42397-64-8","1,6-dinitropyrene;pyrene, 1,6-dinitro-","c1(N(=O)=O)c2c3c4c(c(N(=O)=O)ccc4cc2)ccc3cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Nitro-aromatic|Polycyclic Aromatic Hydrocarbons",1,"Nitro-aromatic|Polycyclic Aromatic Hydrocarbons",1]
["58917-67-2","anti-(+/-)-trans-7,8,9,10-tetrahydrobenzo[a]pyrene-7,8-diol-9,10-epoxide;benzo(a)pyrene diolepoxide i;benzo(a)pyrene diolepoxide 1 (bdpe);anti-(+-)-trans-7,8,9,10-tetrahydrobenzo(a)pyrene-7,8-diol-9,10-epoxide","c12c3c4c(c5c(C(O)C(O)C6C5O6)cc4ccc3ccc1)cc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides",1,"Epoxides and aziridines (Genotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Epoxides and aziridines|Polycyclic Aromatic Hydrocarbons",1,"Epoxides and aziridines|H-acceptor-path3-H-acceptor|Polycyclic Aromatic Hydrocarbons",1]
["63041-90-7","6-nitrobenzo[a]pyrene;6-nitrobenzo(a)pyrene;benzo(a)pyrene, 6-nitro-","c12c3c4c(c(N(=O)=O)c5c(c4ccc3ccc1)cccc5)cc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Moderate Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition|SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Nitro-aromatic|Polycyclic Aromatic Hydrocarbons",1,"Nitro-aromatic|Polycyclic Aromatic Hydrocarbons",1]
["75321-20-9","1,3-dinitropyrene;pyrene, 1,3-dinitro-","c12c3c4c(c(N(=O)=O)cc(N(=O)=O)c4ccc3ccc1)cc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Nitro-aromatic|Polycyclic Aromatic Hydrocarbons",1,"Nitro-aromatic|Polycyclic Aromatic Hydrocarbons",1]
["86674-51-3","1-nitrosopyrene;pyrene, 1-nitroso-","c12c3c4c(c(N=O)ccc4ccc3ccc1)cc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitroso",1,"Aromatic nitroso group (Genotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Aromatic nitroso group|Polycyclic Aromatic Hydrocarbons",1,"Aromatic nitroso group  |H-acceptor-path3-H-acceptor|Polycyclic Aromatic Hydrocarbons",1]
["113202-71-4","6-nitrosochrysene;chrysene, 6-nitroso-","c1(N=O)c2c(c3c(c4c(cccc4)cc3)c1)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitroso",1,"Aromatic nitroso group (Genotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Aromatic nitroso group|Polycyclic Aromatic Hydrocarbons",1,"Aromatic nitroso group  |H-acceptor-path3-H-acceptor|Polycyclic Aromatic Hydrocarbons",1]
["54-88-6","2-methyl-4-(dimethylamino)azobenzene;2-methyl-4-dimethylaminoazobenzene;n,n-dimethyl-4-(phenylazo)-m-toluidine;n,n,3-trimethyl-4-(phenyldiazenyl)aniline;benzenamine, n,n,3-trimethyl-4-(phenylazo)- (9ci)","c1(N=Nc2ccccc2)c(C)cc(N(C)C)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic azo|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine",1,"Aromatic diazo (Genotox)|Aromatic mono-and dialkylamine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aromatic diazo|Aromatic mono-and dialkylamine",1,"Aromatic diazo|Aromatic mono- and dialkylamine|H-acceptor-path3-H-acceptor",1]
["74-88-4","methyl iodide;iodomethane;methane, iodo-;iodomethane(methyliodide);74-88-4","CI","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Monohaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Monohaloalkanes|SN2 >> Ring opening SN2 reaction|SN2 >> Ring opening SN2 reaction >> Monohaloalkanes",1,"SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides",1,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Monohaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Monohaloalkanes|SN2 >> Ring opening SN2 reaction|SN2 >> Ring opening SN2 reaction >> Monohaloalkanes",1,"Aliphatic halogens",1,"Aliphatic halogen",1]
["80-40-0","ethyl p-toluenesulfonate;ethyl-p-methylbenzenesulfonate;benzenesulfonic acid, 4-methyl-, ethyl ester;ethyl toluene-4-sulphonate;p-toluenesulfonic acid, ethyl ester;ethyl 4-methylbenzenesulfonate","c1(S(=O)(=O)OCC)ccc(C)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Sulfonates and Sulfates",1,"No alert found",0,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid (Genotox)|Benzenesulfonic ethers, methylation (Nongenotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Sulfonates and Sulfates",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid|H-acceptor-path3-H-acceptor",1]
["215-58-7","dibenz[a,c]anthracene;1,2,3,4-dibenzanthracene;benzo[f]tetraphene;dibenz(a,c)anthracene","c12c(c3c(c4c1cc1c(cccc1)c4)cccc3)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition|SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1",1,"Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1]
["581-89-5","2-nitronaphthalene;2nitronaphthalene;naphthalene, 2-nitro-;581-89-5","c12c(cc(N(=O)=O)cc1)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"Nitro-aromatic",1]
["610-49-1","1-aminoanthracene;1-anthracenamine;1-anthrylamine;anthracen-1-amine;1-anthramine (6ci,7ci,8ci)","c1(N)c2c(cc3c(cccc3)c2)ccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition|SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Polycyclic Aromatic Hydrocarbons (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Polycyclic Aromatic Hydrocarbons|Primary aromatic amine,hydroxyl amine and its derived esters",1,"Polycyclic Aromatic Hydrocarbons|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["963-89-3","7,9-dimethylbenz[c]acridine;7,9-dimethylbenz(c)acridine;benz(c)acridine, 7,9-dimethyl-","c12c(c3c(c(C)c4c(ccc(C)c4)n3)cc1)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Moderate Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition|SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Heterocyclic Polycyclic Aromatic Hydrocarbons",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons",1]
["1250-95-9","cholesterol epoxide;5,6-alpha-epoxy-5-alpha-cholestan-3-beta-ol;5,6-±-epoxy-5-±-cholestan-3-?-ol;5,6-?-epoxy-5-?-cholestan-3-?-ol;5,6-epoxycholestan-3-ol;cholesterol.alpha.-oxide;cholestan-3-ol, 5,6-epoxy-, (3beta,5alpha,6alpha)- (9ci)","C123C(C)(C4C(C5C(C)(C(C(C)CCCC(C)C)CC5)CC4)CC1O2)CCC(O)C3","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides",1,"Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Epoxides and aziridines",1,"Epoxides and aziridines",1]
["2381-15-9","10-methylbenz[a]anthracene;10-methyl-benz(a)anthracene;benz[a]anthracene, 10-methyl-;benz(a)anthracene, 10-methyl-","c12c(c3c(cc4c(cc(C)cc4)c3)cc1)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Moderate Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition|SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1",1,"Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1]
["2381-31-9","8-methylbenz[a]anthracene;8-methylbenz(a)anthracene;benz(a)anthracene, 8-methyl-","c12c(c3c(cc4c(C)cccc4c3)cc1)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Moderate Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1",1,"Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1]
["2541-69-7","methylbenz[a]anthracene;7-methylbenz(a)anthracene;benz(a)anthracene-7-methyl;benz[a]anthracene, 7-methyl-;7-methylbenz[a]anthracene;7-methyltetraphene;benz(a)anthracene, 7-methyl-","c12c(c(C)c3c(c4c(cccc4)cc3)c1)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition|SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1",1,"Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1]
["2871-01-04","hc red no. 3;hc red 3;hc red no.3;n'-(2-hydroxyethyl)-2-nitro-4-phenylenediamine;2-(4-amino-2-nitroanilino)ethanol;ethanol, 2-[(4-amino-2-nitrophenyl)amino]-;2-[(4-amino-2-nitrophenyl)amino]ethanol;2-(4-amino 2 nitrophenylamino)-ethanol (hc red #3)","c1(NCCO)c(N(=O)=O)cc(N)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro|SN1 >> Nitrenium Ion formation >> Primary aromatic amine|SN1 >> Nitrenium Ion formation >> Secondary aromatic amine",1,"Nitro-aromatic (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic|Primary aromatic amine,hydroxyl amine and its derived esters",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["13345-21-6","3-hydroxybenzo[a]pyrene;3-hydroxy benzo[a]pyrene;3-hydroxybenzo(a)pyrene","c1(O)c2c3c4c(c5c(cc4cc2)cccc5)ccc3cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition|SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1",1,"Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1]
["13674-87-8","2-propanol, 1,3-dichloro-, phosphate (3:1);tris (1,3-dichloro-2-propyl) phosphate;tris(1,3-dichloro-2-propyl)phosphate;tris(1,3-dichloroisopropyl) phosphate;tris-(1,3-dichloro-2-propyl)phosphate;tris[2-chloro-1-(chloromethyl)ethyl] phosphate;1,3-dichloro-2-propanol phosphate (3:1);tris(1,3-dichloropropan-2-yl) phosphate;tris(2-chloro-1-(chloromethyl)ethyl) phosphate;13674-87-8","C(CCl)(CCl)OP(=O)(OC(CCl)CCl)OC(CCl)CCl","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid|H-acceptor-path3-H-acceptor",1]
["13909-09-6","n-(2-chloroethyl)-n'-(4-methylcyclohexyl)-n-nitrosourea;1-(2-clet)-3(4-mecyhx)-1-n=o urea;urea, n-(2-chloroethyl)-n'-(4-methylcyclohexyl)-n-nitroso-","C(=O)(N(CCCl)N=O)NC1CCC(C)CC1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Moderate Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives|SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Nitrogen Mustards",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> Mustards|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2",1,"Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"Alkyl and aryl N-nitroso groups",1,"Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor",1]
["24279-91-2","carbazilquinone;2,5-cyclohexadiene-1,4-dione, 2-[2-[(aminocarbon;carboquone;2,5-cyclohexadiene-1,4-dione, 2-(2-((aminocarbonyl)oxy)-1-methoxyethyl)-3,6-bis(1-aziridinyl)-5-methyl-","C1(N2CC2)C(=O)C(C)=C(N2CC2)C(=O)C=1C(COC(N)=O)OC","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Moderate Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones|SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Aziridines",1,"Alkyl carbamate and thiocarbamate (Genotox)|Epoxides and aziridines (Genotox)|Quinones (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones|SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Alkyl carbamate and thiocarbamate|Epoxides and aziridines|Quinones",1,"Alkyl carbamate and thiocarbamate|Epoxides and aziridines|H-acceptor-path3-H-acceptor|Quinones",1]
["24961-39-5","7-(bromomethyl)benz[a]anthracene;benz(a)anthracene, 7-bromomethyl-","c12c(c(CBr)c3c(c4c(cccc4)cc3)c1)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition|SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1|SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides",1,"Aliphatic halogens (Genotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Aliphatic halogens|Polycyclic Aromatic Hydrocarbons",1,"Aliphatic halogen|Polycyclic Aromatic Hydrocarbons",1]
["37574-47-3","benzo[a]pyrene 4,5-epoxide;benzo(a)pyrene 4,5-oxide;benzo(a)pyrene 4,5-epoxide","c12c(c3c4c5c(C6C(c4c1)O6)cccc5cc3)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1|SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides",1,"Epoxides and aziridines (Genotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Epoxides and aziridines|Polycyclic Aromatic Hydrocarbons",1,"Epoxides and aziridines|Polycyclic Aromatic Hydrocarbons",1]
["75965-74-1","7-methoxy-2-nitronaphtho[2,1-b]furan;naphtho(2,1-b)furan, 7-methoxy-2-nitro-","c12c(c3c(cc(OC)cc3)cc1)C=C(N(=O)=O)O2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Unsaturated heterocyclic nitro",1,"No alert found",0,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["67-45-8","furazolidone;2-oxazolidinone, 3-[[(5-nitro-2-furanyl)methylene]amino]-;3-{[(5-nitrofuran-2-yl)methylidene]amino}-1,3-oxazolidin-2-one;furazolidone(inn);3-[[(5-nitro-2-furanyl)methylene]amino]-2-oxazolidinone;2-oxazolidinone, 3-(((5-nitro-2-furanyl)methylene)amino)-","C1(C=NN2C(=O)OCC2)=CC=C(N(=O)=O)O1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Unsaturated heterocyclic nitro",1,"Hydrazine (Genotox)|Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Hydrazine|Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Hydrazine|Nitro-aromatic",1]
["303-33-3","heliotrine","C(=O)(C(O)(C(C)C)C(C)OC)OCC1C2C(O)CCN2CC=1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"Pyrrolizidine alkaloids (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity|Substituted n-alkylcarboxylic acids (Nongenotox)",1,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["554-10-9","3-indo-1,2-propanediol;glyceryl iodide;3-iodo-1,2-propanediol;3-iodopropane-1,2-diol;1,2-propanediol, 3-iodo-","C(O)(CO)CI","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Elimination (E2)|Elimination (E2) >> E2 elimination reaction with epoxide formation|Elimination (E2) >> E2 elimination reaction with epoxide formation >> Haloalcohols|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Haloalcohols",1,"SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides",1,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Elimination (E2)|Elimination (E2) >> E2 elimination reaction with epoxide formation|Elimination (E2) >> E2 elimination reaction with epoxide formation >> Haloalcohols|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Haloalcohols",1,"Aliphatic halogens",1,"Aliphatic halogen|H-acceptor-path3-H-acceptor",1]
["578-66-5","8-aminoquinoline;quinolin-8-ylamine;8-quinolinamine;8-quinolylamine;quinolin-8-amine;quinoline, 8-amino-","c1(N)c2c(cccn2)ccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["937-40-6","n-methyl-n-benzylnitrosamine;n-benzyl-n-methylnitrosoamine;n-nitrosomethylbenzylamine;n-methyl-n-nitrosobenzenemethanamine;n-methyl-n-nitroso-benzenemethanamine;937-40-6","c1(CN(C)N=O)ccccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes|SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2",1,"Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"Alkyl and aryl N-nitroso groups",1,"Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor",1]
["2425-79-8","1,4-butanediol diglycidyl ether;oxirane, 2,2'-[1,4-butanediylbis(oxymethylene)]bis-;oxirane, 2,2'- 1,4-butanediylbis(oxymethylene) b;oxirane, 2,2'- 1,4-butanediylbis(oxymethylene) bis-;1,4-bis(2,3-epoxypropoxy)butane;oxirane, 2,2’-[1,4-butanediylbis(oxymethylene)]bis-;butane, 1,4-bis(2,3-epoxypropoxy)-;oxirane, 2,2'-Х1,4-butanediylbis(oxymethylene)еbis-;2,2'-[butane-1,4-diylbis(oxymethylene)]dioxirane;oxirane, 2,2'-(1,4-butanediylbis(oxymethylene))bis-;2425-79-8","C1(COCCCCOCC2CO2)CO1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides",1,"Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Epoxides and aziridines",1,"Epoxides and aziridines|H-acceptor-path3-H-acceptor",1]
["3132-64-7","alpha-epibromohydrin;1,2-epoxy-3-bromopropane;1-bromo-2,3-epoxypropane;epibromohydrin;oxirane, (bromomethyl)-;propane, 1-bromo-2,3-epoxy-;2-(bromomethyl)oxirane","C1(CBr)CO1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides",1,"Aliphatic halogens (Genotox)|Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Aliphatic halogens|Epoxides and aziridines",1,"Aliphatic halogen|Epoxides and aziridines",1]
["3234-02-04","trans-2,3-dibromo-2-butene-1,4-diol;2,3-dibromo-2-butene-1,4-diol;dibromobutenediol;2-butene-1,4-diol, 2,3-dibromo-;2,3-dibromobut-2-ene-1,4-diol","C(Br)(=C(Br)CO)CO","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0]
["4016-14-2","isopropyl glycidyl ether;2,3-epoxypropyl isopropyl ether;oxirane, [(1-methylethoxy)methyl]-;2-[(propan-2-yloxy)methyl]oxirane; isopropyl glycidyl ether;oxirane, ((1-methylethoxy)methyl)-;4016-14-2","C1(COC(C)C)CO1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides",1,"Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Epoxides and aziridines",1,"Epoxides and aziridines|H-acceptor-path3-H-acceptor",1]
["7203-90-9","1-(4-chlorophenyl)-3,3-dimethyltriazine;1-(4-chlorophenyl)-3,3-dimethyltriazene;1-triazene, 1-(4-chlorophenyl)-3,3-dimethyl- (9ci)","c1(Cl)ccc(N=NN(C)C)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Moderate Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","G 46","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Carbenium Ion Formation|SN2 >> Carbenium Ion Formation >> Acyclic Triazenes",1,"No alert found",0,"Azide and triazene groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Carbenium Ion Formation|SN2 >> Carbenium Ion Formation >> Acyclic Triazenes",1,"Azide and triazene groups",1,"Azide and triazene groups|H-acceptor-path3-H-acceptor",1]
["7417-67-6","methylnitrosoacetamide;n-methyl-n-nitrosoacetamide;acetamide, n-methyl-n-nitroso-;7417-67-6","C(C)(=O)N(C)N=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Moderate Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2",1,"Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"Alkyl and aryl N-nitroso groups",1,"Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor",1]
["16757-81-6","3-methylbenzo[a]pyrene;benzo(a)pyrene, 3-methyl-","c1(C)c2c3c4c(c5c(cc4cc2)cccc5)ccc3cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition|SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1",1,"Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1]
["21247-98-3","6-(hydroxymethyl)benzo[a]pyrene;6-(hydroxymethyl)benzo(a)pyrene","c12c3c4c(c(CO)c5c(c4ccc3ccc1)cccc5)cc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition|SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1",1,"Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1]
["60784-46-5","n-(2-chloroethyl)-n'-(2-hydroxyethyl)-n-nitrosourea;hydroxyethyl-clet-no urea;elmustine;1-(2-chloroethyl)-3-(2-hydroxyethyl)-1-nitrosourea;urea, 1-(2-chloroethyl)-3-(2-hydroxyethyl)-1-nitroso-","C(=O)(N(CCCl)N=O)NCCO","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives|SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Nitrogen Mustards",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> Mustards|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2",1,"Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"Alkyl and aryl N-nitroso groups",1,"Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor",1]
["95-54-5","1,2-phenylenediamine (2-aminoaniline);o-phenylenediamine;benzene-1,2-diamine;1,2-benzenediamine;o-phenylenediamine dihydrochloride;2-amino-aniline;1,2-diaminobenzene;ophenylenediamineanditssalts;1,2-diamino benzene;2-phenylene diamine","c1(N)c(N)cccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["106-95-6","allyl bromide;3-bromo-1-propene;3-bromopropene;1-propene, 3-bromo-;propene, 3-bromo-;3-bromoprop-1-ene;106-95-6","C(=C)CBr","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups",1,"SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides",1,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups",1,"Aliphatic halogens",1,"Aliphatic halogen",1]
["286-20-4","7-oxabicyclo[4.1.0]heptane;7-oxabicyclo 4.1.0 heptane;cyclohexene oxide;7-oxa-bicyclo[4.1.0]heptane;1,2-epoxycyclohexane;7-oxabicycloХ4.1.0еheptane;7-oxa-bicyclo[4.1.]heptane;7-oxabicyclo(4.1.0)heptane;286-20-4","C12C(CCCC1)O2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides",1,"Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Epoxides and aziridines",1,"Epoxides and aziridines",1]
["22994-85-0","benznidazole;1h-imidazole-1-acetamide, 2-nitro-n-(phenylmethy;2-nitro-n-(phenylmethyl)-h-imidazole-1-acetamide;1h-imidazole-1-acetamide, 2-nitro-n-(phenylmethyl)- (9ci)","c1(CNC(=O)CN2C(N(=O)=O)=NC=C2)ccccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Moderate Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes|SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Unsaturated heterocyclic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["23256-30-6","nifurtimox;3-methyl-n-[(5-nitrofuran-2-yl)methylidene]thiomorpholin-4-amine 1,1-dioxide;4-thiomorpholinamine, 3-methyl-n-((5-nitro-2-furanyl)methylene)-, 1,1-dioxide;23256-30-6","C1(C=NN2C(C)CS(=O)(=O)CC2)=CC=C(N(=O)=O)O1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Unsaturated heterocyclic nitro",1,"Hydrazine (Genotox)|Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Hydrazine|Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Hydrazine|Nitro-aromatic",1]
["1912-31-8","1-propanol;n-propyl methanesulfonate;propyl methanesulphonate;propyl methanesulfonate;methanesulfonic acid, propyl ester;methanesulfonyl","C(CC)OS(C)(=O)=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Sulfonates and Sulfates",1,"SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Sulfonates",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Sulfonates and Sulfates",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid|H-acceptor-path3-H-acceptor",1]
["5307-02-08","2,5-diaminoanisole;1,4-benzenediamine, 2-methoxy-;2-methoxybenzene-1,4-diamine;1methoxy2,5diaminobenzene(2,5diaminoanisole)anditssalts","c1(N)c(OC)cc(N)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["79-27-6","ethane, 1,1,2,2-tetrabromo-;1,1,2,2-tetrabromoethane,;1,1,2,2-tetrabromoethane;tetrabromoethane;79-27-6","C(Br)(Br)C(Br)Br","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation >> Vicinal Dihaloalkanes|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes",1,"Acylation|Acylation >> P450 Mediated Activation to Acyl Halides|Acylation >> P450 Mediated Activation to Acyl Halides >> 1,1-Dihaloalkanes",1,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes",1,"Aliphatic halogens",1,"Aliphatic halogen",1]
["156-43-4","benzenamine, 4-ethoxy-;4-ethoxyaniline;p-phenetidine;4-ethoxy-phenylamine;p-ethoxyaniline;4-ethoxybenzenamine;4-ethoxy-aniline;phenetidine;pphenetidine(4ethoxyaniline);156-43-4","c1(OCC)ccc(N)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"Primary aromatic amine, hydroxyl amine and its derived esters",1]
["109-09-1","pyridine, 2-chloro-;2-chloropyridine;2-chloro-pyridine","c1(Cl)ccccn1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0]
["120-52-5","2,5-cyclohexadiene-1,4-dione, 1,4-bis(o-benzoyloxime);2,5-cyclohexadiene-1,4-dione, bis(o-benzoyloxime);p,p'-dibenzoylquinonedioxime;2,5-cyclohexadiene-1,4-dione,bis(o-benzoyloxime);p-benzoquinone bis(o-benzoyloxime);p-benzoquinone, bis(o-benzoyloxime);[cyclohexa-2,5-diene-1,4-diylidenebis(nitrilooxy)]bis(phenylmethanone)","C(=O)(c1ccccc1)ON=C1C=CC(=NOC(=O)c2ccccc2)C=C1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Specific Imine and Thione Derivatives|SN2|SN2 >> Diazonium ion formation|SN2 >> Diazonium ion formation >> Specific Imine and Thione Derivatives",1,"No alert found",0,"No alert found",0,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Specific Imine and Thione Derivatives|SN2|SN2 >> Diazonium ion formation|SN2 >> Diazonium ion formation >> Specific Imine and Thione Derivatives",1,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["121-92-6","benzoic acid, 3-nitro-;3-nitrobenzoic acid;m-nitrobenzoic acid;3-nitro-benzoic acid;m-nitro-benzoic acid;benzoic acid, m-nitro-","C(=O)(O)c1cc(N(=O)=O)ccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["74-97-5","bromo(chloro)methane;bromochloromethane;chlorobromomethane;methane, bromochloro-;74-97-5","C(Cl)Br","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes",1,"No alert found",0,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes",1,"Aliphatic halogens",1,"Aliphatic halogen",1]
["3811-49-2","2-methoxy-4h-1,3,2-benzodioxaphosphinine 2-sulfide;dioxabenzofos;salithion;2-methoxy-4h-1,3,2-benzodioxaphosphorin-2-sulfide;2-methoxy-4h-1,3,2-benzodioxaphosphorin 2-sulphide;dioxabenzofos [bsi:iso];4h-(1.3.2)benzodioxaphosphorine, 2-methoxy-, 2-sulfide;3811-49-2","c12c(cccc1)COP(=S)(OC)O2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"No alert found",0,"No alert found",0,"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"No alert found",0,"No alert found",0]
["611-06-3","benzene, 2,4-dichloro-1-nitro-;2,4-dichloronitrobenzene;2,4-dichloro-1-nitrobenzene;1,3-dichloro-4-nitrobenzene","c1(N(=O)=O)c(Cl)cc(Cl)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"Nitro-aromatic",1]
["3531-19-9","benzenamine, 2-chloro-4,6-dinitro-;6-chloro-2,4-dinitroaniline;2-chloro-4,6-dinitroaniline;aniline, 2-chloro-4,6-dinitro-","c1(Cl)c(N)c(N(=O)=O)cc(N(=O)=O)c1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN1 >> Nitrenium ion formation >> Nitro Compounds",{"$f":"IF(W387=\"No alert found\",0,1)","v":1},"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",{"$f":"IF(AA387=\"No alert found\",0,1)","v":1},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",{"$f":"IF(AC387=\"No alert found\",0,1)","v":1},"Nitro-aromatic",{"$f":"IF(AE387=\"No alert found\",0,1)","v":1},"H-acceptor-path3-H-acceptor|Nitro-aromatic",{"$f":"IF(AG387=\"No alert found\",0,1)","v":1}]
["96-50-4","2-thiazolamine;aminothiazole;thiazol-2-ylamine;2-aminothiazole;thiazole, 2-amino-;1,3-thiazol-2-amine;96-50-4","C1(N)=NC=CS1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary (unsaturated) heterocyclic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"Primary aromatic amine, hydroxyl amine and its derived esters",1]
["75-26-3","2-bromopropane;iso-propyl bromide;propane, 2-bromo-;2bromopropane","C(C)(C)Br","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Monohaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Monohaloalkanes|SN2 >> Ring opening SN2 reaction|SN2 >> Ring opening SN2 reaction >> Monohaloalkanes",1,"SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides",1,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Monohaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Monohaloalkanes|SN2 >> Ring opening SN2 reaction|SN2 >> Ring opening SN2 reaction >> Monohaloalkanes",1,"Aliphatic halogens",1,"Aliphatic halogen",1]
["96-23-1","1,3-dichloro-2-propanol;dichloro-2-propanol, 1,3-;2-propanol, 1,3-dichloro-;1,3-dichloropropan-2-ol;1,3dichloropropan2ol;1,3-dichloroisopropanol","C(O)(CCl)CCl","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Elimination (E2)|Elimination (E2) >> E2 elimination reaction with epoxide formation|Elimination (E2) >> E2 elimination reaction with epoxide formation >> Haloalcohols|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Haloalcohols",1,"SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides",1,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Elimination (E2)|Elimination (E2) >> E2 elimination reaction with epoxide formation|Elimination (E2) >> E2 elimination reaction with epoxide formation >> Haloalcohols|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Haloalcohols",1,"Aliphatic halogens",1,"Aliphatic halogen",1]
["98-87-3","a,a-dichlorotoluene (benzal chloride);dichloro-4-methylbenzene, 1,2-;alpha,alpha-dichlorotoluene;benzene, (dichloromethyl)-;a,a-dichlorotoluene;benzal chloride;(dichloromethyl)benzene;±,±-dichlorotoluene;dichloromethylbenzene;?,?-dichlorotoluene;toluene, .alpha.,.alpha.-dichloro-;?,?dichlorotoluene;α,α-dichlorotoluene;toluene, alpha,alpha-dichloro- (8ci);98-87-3","c1(C(Cl)Cl)ccccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes",1,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups",1,"Aliphatic halogens",1,"Aliphatic halogen",1]
["100-14-1","4-nitrobenzyl chloride;p-nitrobenzyl chloride;benzene, 1-(chloromethyl)-4-nitro-;1-chloromethyl-4-nitro benzene (4-nitrobenzyl chloride);±-chloro-4-nitrotoluene;?-chloro-4-nitrotoluene;1-(chloromethyl)-4-nitrobenzene;100-14-1","c1(N(=O)=O)ccc(CCl)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro|SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides",1,"Aliphatic halogens (Genotox)|Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups",1,"Aliphatic halogens|Nitro-aromatic",1,"Aliphatic halogen|Nitro-aromatic",1]
["193-39-5","indeno[1,2,3-cd]pyrene;indeno(1,2,3-cd)pyrene;indeno(1,2,3-cd)pyrene                           \"","c12c3c4c5c(c6c(c5cc3ccc1)cccc6)ccc4cc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"No alert found",0,"Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1]
["619-24-9","3-nitrobenzonitrile;m-nitrobenzonitrile;3-cyano-1-nitrobenzene;benzonitrile, 3-nitro-;benzonitrile, m-nitro-","C(#N)c1cc(N(=O)=O)ccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Nitro-aromatic",1,"Nitro-aromatic",1]
["892-21-7","3-nitrofluoranthene;fluoranthene, 3-nitro-","c1(N(=O)=O)c2c3c(c4c(c3ccc2)cccc4)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Moderate Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic|Polycyclic Aromatic Hydrocarbons",1,"Nitro-aromatic|Polycyclic Aromatic Hydrocarbons",1]
["2479-46-1","1,3-phenylenedi(4-aminophenyl ether);benzenamine, 4,4'-[1,3-phenylenebis(oxy)]bis-;benzenamine, 4,4'-(1,3-phenylenebis(oxy))bis-","c1(Oc2ccc(N)cc2)cc(Oc2ccc(N)cc2)ccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Moderate Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"1-phenoxy-benzene|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["577-19-5","1-bromo-2-nitrobenzene;bromo-2-nitrobenzene, 1-;o-bromonitrobenzene;benzene, 1-bromo-2-nitro-;1,2-bromonitrobenzene","c1(Br)c(N(=O)=O)cccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"Nitro-aromatic",1]
["584-48-5","1-bromo-2,4-dinitrobenzene;benzene, 1-bromo-2,4-dinitro-","c1(Br)c(N(=O)=O)cc(N(=O)=O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"Nitro-aromatic",1]
["586-78-7","1-bromo-4-nitrobenzene;p-bromonitrobenzene;4-bromo-1-nitrobenzene;benzene,4-bromo-1-nitro;benzene, 1-bromo-4-nitro-;4-bromonitrobenzene","c1(Br)ccc(N(=O)=O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"Nitro-aromatic",1]
["311-45-5","diethyl 4-nitrophenyl phosphate;paraoxon;diethyl-p-nitrophenyl phosphate;diethyl4nitrophenyl phosphate(paraoxoniso);diethyl 4-nitrophenyl ester phosphoric acid;phosphoric acid, diethyl 4-nitrophenyl ester;311-45-5","c1(OP(=O)(OCC)OCC)ccc(N(=O)=O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid (Genotox)|Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid|Nitro-aromatic",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid|H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["99-07-0","3-dimethylaminophenol;3-dimethylamino-phenol;phenol, 3-(dimethylamino)-;3-(dimethylamino)phenol","c1(O)cc(N(C)C)ccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine",1,"Aromatic mono-and dialkylamine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aromatic mono-and dialkylamine",1,"Aromatic mono- and dialkylamine",1]
["198-55-0","perylene","c12c3c(c4c5c(c3ccc1)cccc5ccc4)ccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"No alert found",0,"Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1]
["78-82-0","isobutyronitrile (2-methylpropionitrile);isobutyronitrile;propanenitrile, 2-methyl-;2-methylpropanenitrile;2-cyanopropane;78-82-0","C(#N)C(C)C","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0]
["99-35-4","sym-trinitrobenzene;1,3,5-trinitrobenzene;benzene, 1,3,5-trinitro-","c1(N(=O)=O)cc(N(=O)=O)cc(N(=O)=O)c1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"Nitro-aromatic",1]
["616-72-8","m-xylene, 4,6-dinitro-;4,6-dinitro-m-xylene;m-xylene, 4,6-dinitro-\";1,5-dimethyl-2,4-dinitrobenzene;benzene, 1,5-dimethyl-2,4-dinitro- (9ci)","c1(C)c(N(=O)=O)cc(N(=O)=O)c(C)c1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Nitro-aromatic",1,"Nitro-aromatic",1]
["618-87-1","3,5-dinitroaniline;3,5-dinitro-phenylamine;aniline, 3,5-dinitro-;3,5-dinitro-aniline;benzenamine, 3,5-dinitro- (9ci)","c1(N)cc(N(=O)=O)cc(N(=O)=O)c1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Nitro-aromatic (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic|Primary aromatic amine,hydroxyl amine and its derived esters",1,"Nitro-aromatic|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["19406-51-0","4-amino-2,6-dinitrotoluene;4-amino-2,6-dinitrotoluene\";benzenamine, 4-methyl-3,5-dinitro- (9ci);p-toluidine, 3,5-dinitro-\"","c1(N(=O)=O)c(C)c(N(=O)=O)cc(N)c1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Moderate Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Nitro-aromatic (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic|Primary aromatic amine,hydroxyl amine and its derived esters",1,"Nitro-aromatic|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["35572-78-2","2-amino-4,6-dinitrotoluene;2-amino-4,6-dinitrotoluene\";2-methyl-3,5-dinitrobenzenamine;benzenamine, 3,5-dinitro-2-methyl- (9ci)","c1(N)c(C)c(N(=O)=O)cc(N(=O)=O)c1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Moderate Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Nitro-aromatic (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic|Primary aromatic amine,hydroxyl amine and its derived esters",1,"Nitro-aromatic|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["2426-07-05","1,2,7,8-diepoxyoctane;1,2:7,8-diepoxyoctane;oxirane, 2,2 -(1,4-butanediyl)bis-;oxirane, 2,2’-(1,4-butanediyl)bis-;2,2'-butane-1,4-diyldioxirane;oxirane, 2,2'-(1,4-butanediyl)bis- (9ci);2426-07-5","C1(CCCCC2CO2)CO1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 102","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides",1,"Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Epoxides and aziridines",1,"Epoxides and aziridines",1]
["66-56-8","2,3-dinitrophenol;2,3-dinitro-phenol;phenol, 2,3-dinitro-","c1(O)c(N(=O)=O)c(N(=O)=O)ccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"No alert found",0,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["99-61-6","3-nitrobenzaldehyde;nitrobenzaldehyde, 3-;nitrobenzaldehyde, m-;m-nitrobenzaldehyde;benzaldehyde, 3-nitro-;benzaldehyde, m-nitro-","c1(C=O)cc(N(=O)=O)ccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Simple aldehyde (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic|Simple aldehyde",1,"Nitro-aromatic|Simple aldehyde",1]
["100-16-3","4-nitrophenylhydrazine;p-nitrophenylhydrazine;(4-nitro-phenyl)-hydrazine;hydrazine, (4-nitrophenyl)-;(4-nitro)phenylhydrazine;hydrazine, (p-nitrophenyl)-;(4-nitrophenyl)hydrazine","c1(NN)ccc(N(=O)=O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Nucleophilic addition|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization >> Hydrazine Derivatives|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Hydrazine Derivatives|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Hydrazine|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Hydrazine (Genotox)|Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Nucleophilic addition|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization >> Hydrazine Derivatives|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Hydrazine Derivatives|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Hydrazine|Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Hydrazine|Nitro-aromatic",1]
["229-87-8","phenanthridine","c12c(c3c(cccc3)cn1)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Heterocyclic Polycyclic Aromatic Hydrocarbons",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons",1]
["524-42-5","1,2-naphthoquinone;1,2-naphthalenedione;naphthalene-1,2-dione","C1(=O)C(=O)c2c(C=C1)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> Quinones and Quinone-type Chemicals|Michael addition >> Quinones and Quinone-type Chemicals >> Quinones",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["535-11-5","ethyl-2-bromopropionate;2-bromopropanoic acid, ethyl ester;methyl-2-bromoproprionate;ethyl a-bromopropionate;ethyl 2-bromopropionate;propanoic acid, 2-bromo-, ethyl ester;ethyl alpha-bromopropionate;ethyl 2-bromopropanoate;propionic acid, 2-bromo-, ethyl ester (6ci,7ci,8ci);2-bromopropanoic acid ethyl ester","C(=O)(C(C)Br)OCC","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aliphatic halogens",1,"Aliphatic halogen|H-acceptor-path3-H-acceptor",1]
["575-44-0","1,6-naphthalenediol;1,6-dihydroxynaphthalene;naphthalene-1,6-diol","c1(O)c2c(cc(O)cc2)ccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 102","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0]
["577-71-9","3,4-dinitrophenol;3,4-dinitro-phenol;phenol, 3,4-dinitro-","c1(N(=O)=O)c(N(=O)=O)cc(O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["580-17-6","3-aminoquinoline;3-quinolylamine;3-quinolinamine;quinolin-3-amine;quinoline, 3-amino-","c12c(cc(N)cn1)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["585-79-5","1-bromo-3-nitrobenzene;m-bromonitrobenzene;3-bromo-1-nitrobenzene;benzene, 1-bromo-3-nitro-","c1(Br)cc(N(=O)=O)ccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"Nitro-aromatic",1]
["606-22-4","2,6-dinitroaniline;benzenamine, 2,6-dinitro- (9ci)","c1(N(=O)=O)c(N)c(N(=O)=O)ccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["611-34-7","5-aminoquinoline;quinolin-5-ylamine;quinolin-5-amine","c1(N)c2c(ccc1)nccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"Primary aromatic amine, hydroxyl amine and its derived esters",1]
["627-18-9","1-propanol, 3-bromo-;3-bromo-1-propanol;3-bromopropanol;3-bromopropan-1-ol","C(Br)CCO","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Elimination (E2)|Elimination (E2) >> E2 elimination reaction with epoxide formation|Elimination (E2) >> E2 elimination reaction with epoxide formation >> Haloalcohols|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Haloalcohols",1,"SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides",1,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Elimination (E2)|Elimination (E2) >> E2 elimination reaction with epoxide formation|Elimination (E2) >> E2 elimination reaction with epoxide formation >> Haloalcohols|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Haloalcohols",1,"Aliphatic halogens",1,"Aliphatic halogen",1]
["709-49-9","2,4-dinitro-1-iodobenzene;1-iodo-2,4-dinitrobenzene","c1(I)c(N(=O)=O)cc(N(=O)=O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"Nitro-aromatic",1]
["922-63-4","2-ethylacrolein (2-methylenebutyraldehyde);2-ethylacrolein;2-ethylpropenal;2-ethylacrylaldehyde;butanal, 2-methylene-;2-methylidenebutanal;butanal, 2-methylene- (9ci)","C(=C)(C=O)CC","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Michael addition|Michael addition >> alpha, beta-unsaturated carabonyl compounds|Michael addition >> alpha, beta-unsaturated carabonyl compounds >> Alpha, Beta-Unsaturated Aldehydes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Alpha, Beta-Unsaturated Aldehydes",1,"Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated aldehydes",1,"alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Michael addition|Michael addition >> alpha, beta-unsaturated carabonyl compounds|Michael addition >> alpha, beta-unsaturated carabonyl compounds >> Alpha, Beta-Unsaturated Aldehydes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Alpha, Beta-Unsaturated Aldehydes",1,"alpha,beta-unsaturated carbonyls",1,"alpha,beta-unsaturated carbonyls",1]
["928-51-8","1-butanol, 4-chloro-;4-chloro-1-butanol;4-chlorobutan-1-ol","C(Cl)CCCO","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Elimination (E2)|Elimination (E2) >> E2 elimination reaction with epoxide formation|Elimination (E2) >> E2 elimination reaction with epoxide formation >> Haloalcohols|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Haloalcohols",1,"SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides",1,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Elimination (E2)|Elimination (E2) >> E2 elimination reaction with epoxide formation|Elimination (E2) >> E2 elimination reaction with epoxide formation >> Haloalcohols|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Haloalcohols",1,"Aliphatic halogens",1,"Aliphatic halogen",1]
["1070-66-2","2-butylacrolein (2-methylenehexanal);2-butylacrolein;2-methylenehexanal;2-methylidenehexanal","C(=C)(C=O)CCCC","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Michael addition|Michael addition >> alpha, beta-unsaturated carabonyl compounds|Michael addition >> alpha, beta-unsaturated carabonyl compounds >> Alpha, Beta-Unsaturated Aldehydes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Alpha, Beta-Unsaturated Aldehydes",1,"Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated aldehydes",1,"alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Michael addition|Michael addition >> alpha, beta-unsaturated carabonyl compounds|Michael addition >> alpha, beta-unsaturated carabonyl compounds >> Alpha, Beta-Unsaturated Aldehydes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Alpha, Beta-Unsaturated Aldehydes",1,"alpha,beta-unsaturated carbonyls",1,"alpha,beta-unsaturated carbonyls",1]
["1576-87-0","(trans)-2-pentenal;trans-2-pentenal;(e)-pent-2-en-1-al;2-pentenal, (e)-;(2e)-pent-2-enal","C(=O)C=CCC","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Michael addition|Michael addition >> alpha, beta-unsaturated carabonyl compounds|Michael addition >> alpha, beta-unsaturated carabonyl compounds >> Alpha, Beta-Unsaturated Aldehydes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Alpha, Beta-Unsaturated Aldehydes",1,"Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated aldehydes",1,"alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Michael addition|Michael addition >> alpha, beta-unsaturated carabonyl compounds|Michael addition >> alpha, beta-unsaturated carabonyl compounds >> Alpha, Beta-Unsaturated Aldehydes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Alpha, Beta-Unsaturated Aldehydes",1,"alpha,beta-unsaturated carbonyls",1,"alpha,beta-unsaturated carbonyls",1]
["1817-73-8","2-bromo-4,6-dinitroaniline;benzenamine, 2-bromo-4,6-dinitro-;2-bromo-4,6-dinitro-aniline;aniline, 2-bromo-4,6-dinitro-","c1(Br)c(N)c(N(=O)=O)cc(N(=O)=O)c1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["3018-12-0","dichloroacetonitrile;dichloroacetic acid;dichloroacetronitrile;acetonitrile, dichloro-;3018-12-0;nitrile","C(#N)C(Cl)Cl","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups",1,"No alert found",0,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups",1,"Aliphatic halogens",1,"Aliphatic halogen",1]
["4437-51-8","3,4-hexanedione;hexane-3,4-dione\"\"\";hexane-3,4-dione","C(=O)(C(=O)CC)CC","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Dicarbonyl Compounds",1,"Schiff base formers|Schiff base formers >> Direct Acting Schiff Base Formers|Schiff base formers >> Direct Acting Schiff Base Formers >> Alpha-beta-dicarbonyl",1,"No alert found",0,"Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Dicarbonyl Compounds",1,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["5401-94-5","5-nitroindazole;5-nitro-1h-indazole;1h-indazole, 5-nitro-","c12c(C=NN1)cc(N(=O)=O)cc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Hydrazine (Genotox)|Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Hydrazine|Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Hydrazine|Nitro-aromatic",1]
["6146-52-7","5-nitroindole;5-nitro-1h-indole;indole, 5-nitro;1h-indole, 5-nitro- (9ci)","c12c(C=CN1)cc(N(=O)=O)cc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"Nitro-aromatic",1]
["75-29-6","2-chloropropane;chloropropane, 2-;propane, 2-chloro-;75-29-6","C(C)(C)Cl","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Monohaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Monohaloalkanes|SN2 >> Ring opening SN2 reaction|SN2 >> Ring opening SN2 reaction >> Monohaloalkanes",1,"SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides",1,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Monohaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Monohaloalkanes|SN2 >> Ring opening SN2 reaction|SN2 >> Ring opening SN2 reaction >> Monohaloalkanes",1,"Aliphatic halogens",1,"Aliphatic halogen",1]
["99-34-3","3,5-dinitrobenzoic acid;3,5-dinitro-benzoic acid;benzoic acid, 3,5-dinitro-","C(=O)(O)c1cc(N(=O)=O)cc(N(=O)=O)c1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["50-41-9","clomiphene citrate","c1(C(c2ccc(OCCN(CC)CC)cc2)=C(Cl)c2ccccc2)ccccc1_C(=O)(O)C(O)(CC(=O)O)CC(=O)O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found|SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["50-63-5","chloroquine diphosphate;chloroquine phosphate;chloroquine bis(phosphate);1,4-pentanediamine, n4-(7-chloro-4-quinolinyl)-n1,n1-diethyl-, phosphate (1:2);n~4~-(7-chloroquinolin-4-yl)-n~1~,n~1~-diethylpentane-1,4-diamine bis(phosphate);n4-(7-chloro-4-quinolinyl)-n',n'-diethyl-1,4-pentanediamine, phosphate (1:2)","c1(NC(C)CCCN(CC)CC)c2c(cc(Cl)cc2)ncc1_O=P(O)(O)O_O=P(O)(O)O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 97","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found|SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Secondary aromatic amine",1,"Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["52-67-5","d-penicillamine;pencillamine;penicillamine dl-;penicillamine;3-sulfanyl-d-valine;valine, 3-mercapto-, d-;52-67-5","C(=O)(O)C(N)C(C)(C)S","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Generation of reactive oxygen species|Radical >> Generation of reactive oxygen species >> Thiols",1,"No alert found",0,"No alert found",0,"Radical|Radical >> Generation of reactive oxygen species|Radical >> Generation of reactive oxygen species >> Thiols",1,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["54-91-1","pipobroman;piperazine, 1,4-bis(3-bromopropionyl)-;piperazine, 1,4-bis(3-bromo-1-oxopropyl)-;54-91-1","C(=O)(CCBr)N1CCN(C(=O)CCBr)CC1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines|SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides",1,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aliphatic halogens",1,"Aliphatic halogen|H-acceptor-path3-H-acceptor",1]
["55-98-1","myleran;mylerlan;busulfan;1,4-butanediol, dimethanesulfonate;butane-1,4-diyl dimethanesulfonate;dimethanesulfonate-1,4-butanediol","C(CCCOS(C)(=O)=O)OS(C)(=O)=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Sulfonates and Sulfates",1,"SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Sulfonates",1,"No alert found",0,"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Sulfonates and Sulfates",1,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["57-92-1","streptomycin;n,n'''-[(1r,2r,3s,4r,5r,6s)-4-({5-deoxy-2-o-[2-deoxy-2-(methylamino)-alpha-l-glucopyranosyl]-3-c-formyl-alpha-l-lyxofuranosyl}oxy)-2,5,6-trihydroxycyclohexane-1,3-diyl]diguanidine","C1(O)(C=O)C(OC2C(NC)C(O)C(O)C(CO)O2)C(OC2C(O)C(O)C(N=C(N)N)C(O)C2N=C(N)N)OC1C","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 102","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Schiff base formers|Schiff base formers >> Direct Acting Schiff Base Formers|Schiff base formers >> Direct Acting Schiff Base Formers >> Mono aldehydes",1,"Simple aldehyde (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Simple aldehyde",1,"H-acceptor-path3-H-acceptor|Oxolane|Simple aldehyde",1]
["61-25-6","papaverine hydrochloride","c1(Cc2cc(OC)c(OC)cc2)c2c(cc(OC)c(OC)c2)ccn1_Cl{-}_R","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones|No alert found",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["61-57-4","niridazole;1-(5-nitro-1,3-thiazol-2-yl)imidazolidin-2-one;2-imidazolidinone, 1-(5-nitro-2-thiazolyl)-;1-(5-nitro-2-thiazolyl)-2-imidazolidinone","C1(N(=O)=O)=CN=C(N2C(=O)NCC2)S1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Unsaturated heterocyclic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["61-73-4","methylene blue;7-(dimethylamino)-3-(methylimino)-3h-phenothiazine, 3-methochloride;methylene blue anhydrous","C12C(C=C(N(C)C)C=C1)=S{+}(.Cl{-})c1c(ccc(N(C)C)c1)N=2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Moderate Quality, Conflict","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine",1,"Aromatic mono-and dialkylamine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aromatic mono-and dialkylamine",1,"Aromatic mono- and dialkylamine",1]
["63-92-3","phenoxybenzamine hydrochloride","c1(CN(C(C)COc2ccccc2)CCCl)ccccc1_Cl{-}_R","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found|SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Nitrogen Mustards",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes|No alert found|SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines|SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> Mustards",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["65-61-2","acridine orange hcl","R_c12c(c(N(C)C)ccc1)cc1c(ccc(N(C)C)c1)n2_Cl{-}","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition|No alert found|SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine",1,"Aromatic mono-and dialkylamine (Genotox)|Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aromatic mono-and dialkylamine|Heterocyclic Polycyclic Aromatic Hydrocarbons",1,"Aromatic mono- and dialkylamine|Heterocyclic Polycyclic Aromatic Hydrocarbons",1]
["70-00-8","5-trifluorothymidine;trifluridine;2'-deoxy-5-(trifluoromethyl)uridine;thymidine, alpha,alpha,alpha-trifluoro-","C(F)(F)(F)C1C(=O)NC(=O)N(C2CC(O)C(CO)O2)C=1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"alpha,beta-unsaturated carbonyls",1,"alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor|Oxolane",1]
["70-25-7","n-methyl-n'-nitro-n-nitrosoguanidine","C(N)(N(C)N=O)=NN(=O)=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2",1,"Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"Alkyl and aryl N-nitroso groups",1,"Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor",1]
["70-34-8","1-fluoro-2,4-dinitrobenzene;benzene, 1-fluoro-2,4-dinitro-","c1(F)c(N(=O)=O)cc(N(=O)=O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"Nitro-aromatic",1]
["70-54-2","lysine;dl-lysine","C(=O)(O)C(N)CCCCN","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["72-57-1","c.i. direct blue 14","[Na]{+}_C1(S(=O)(=O)O)C(=NNc2c(C)cc(-c3cc(C)c(NN=C4C(=O)c5c(C=C4S(=O)(=O)O{-}.[Na]{+})cc(S(=O)(=O)O{-}.[Na]{+})cc5N)cc3)cc2)C(=O)c2c(N)cc(S(=O)(=O)O{-}.[Na]{+})cc2C=1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Specific Imine and Thione Derivatives|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN2|SN2 >> Diazonium ion formation|SN2 >> Diazonium ion formation >> Specific Imine and Thione Derivatives",1,"No alert found|SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Specific Imine and Thione Derivatives|SN2|SN2 >> Diazonium ion formation|SN2 >> Diazonium ion formation >> Specific Imine and Thione Derivatives",1,"Hydrazine",1,"H-acceptor-path3-H-acceptor|Hydrazine",1]
["73-03-0","cordycepin;3'-deoxyadenosine;adenosine, 3’-deoxy-;cordycepin (3'-deoxyadenosine);cordycepin 3'-deoxyadenosine;adenosine, 3'-deoxy-","c1(N)c2c(N(C3C(O)CC(CO)O3)C=N2)ncn1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",{"$f":"IF(W451=\"No alert found\",0,1)","v":1},"No alert found",0,"Imidazole, benzimidazole (Nongenotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",{"$f":"IF(AA451=\"No alert found\",0,1)","v":1},"No alert found",{"$f":"IF(AC451=\"No alert found\",0,1)","v":0},"Primary aromatic amine,hydroxyl amine and its derived esters",{"$f":"IF(AE451=\"No alert found\",0,1)","v":1},"H-acceptor-path3-H-acceptor|Oxolane|Primary aromatic amine, hydroxyl amine and its derived esters",{"$f":"IF(AG451=\"No alert found\",0,1)","v":1}]
["74-87-3","methyl chloride;methane, chloro-;chloromethane;chloromethane(methyl chloride);monochloromethane;74-87-3","CCl","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Monohaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Monohaloalkanes|SN2 >> Ring opening SN2 reaction|SN2 >> Ring opening SN2 reaction >> Monohaloalkanes",1,"SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides",1,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Monohaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Monohaloalkanes|SN2 >> Ring opening SN2 reaction|SN2 >> Ring opening SN2 reaction >> Monohaloalkanes",1,"Aliphatic halogens",1,"Aliphatic halogen",1]
["74-95-3","dibromomethane;methane, dibromo-;74-95-3","C(Br)Br","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes",1,"No alert found",0,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes",1,"Aliphatic halogens",1,"Aliphatic halogen",1]
["76-02-8","trichloroacetyl chloride;trichloracetylchloride;acetyl chloride, trichloro-;76-02-8","C(Cl)(Cl)(Cl)C(=O)Cl","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes",1,"Acylation|Acylation >> Direct Addition of an Acyl Halide|Acylation >> Direct Addition of an Acyl Halide >> Acyl halide",1,"Acyl halides (Genotox)|Alkyl halides (Nongenotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes",1,"Acyl halides",1,"Acyl halides",1]
["78-76-2","sec-butyl bromide;bromo-2-butane;2-bromobutane;butane, 2-bromo-","C(C)(Br)CC","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Monohaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Monohaloalkanes|SN2 >> Ring opening SN2 reaction|SN2 >> Ring opening SN2 reaction >> Monohaloalkanes",1,"SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides",1,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Monohaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Monohaloalkanes|SN2 >> Ring opening SN2 reaction|SN2 >> Ring opening SN2 reaction >> Monohaloalkanes",1,"Aliphatic halogens",1,"Aliphatic halogen",1]
["78-98-8","methyl glyoxal;methylglyoxal;pyruvaldehyde;propanal, 2-oxo-;2-oxopropanal;78-98-8","C(C)(=O)C=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Dicarbonyl Compounds",1,"Schiff base formers|Schiff base formers >> Direct Acting Schiff Base Formers|Schiff base formers >> Direct Acting Schiff Base Formers >> Alpha-beta-dicarbonyl",1,"Simple aldehyde (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Dicarbonyl Compounds",1,"Simple aldehyde",1,"H-acceptor-path3-H-acceptor|Simple aldehyde",1]
["80-18-2","methyl benzenesulfonate;alkyl benzene sulphonate;methyl benzenesulphonate;benzenesulfonic acid, methyl ester;80-18-2","c1(S(=O)(=O)OC)ccccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Sulfonates and Sulfates",1,"No alert found",0,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Sulfonates and Sulfates",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid|H-acceptor-path3-H-acceptor",1]
["80-42-2","propyl benzenesulfonate;propyl benzenesulphonate;benzenesulfonic acid, propyl ester","c1(S(=O)(=O)OCCC)ccccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Sulfonates and Sulfates",1,"No alert found",0,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Sulfonates and Sulfates",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid|H-acceptor-path3-H-acceptor",1]
["80-44-4","benzenesulfonic acid n-butyl ester;benzenesulfonic acid, butyl ester","c1(S(=O)(=O)OCCCC)ccccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Sulfonates and Sulfates",1,"No alert found",0,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Sulfonates and Sulfates",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid|H-acceptor-path3-H-acceptor",1]
["80-68-2","threonine;(2s,3r)-2-amino-3-hydroxy-butyric acid;dl-threonine","C(=O)(O)C(N)C(C)O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["81-55-0","1,8-dihydroxy-4,5-dinitroanthraquinone;9,10-anthracenedione, 1,8-dihydroxy-4,5-dinitro-;anthraquinone, 1,8-dihydroxy-4,5-dinitro-;1,8-dihydroxy-4,5-dinitroanthracene-9,10-dione","c12C(=O)c3c(C(=O)c1c(O)ccc2N(=O)=O)c(O)ccc3N(=O)=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Radical >> Radical mechanism by ROS formation >> Quinones|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Quinones (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Radical >> Radical mechanism by ROS formation >> Quinones|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic|Quinones",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic|Quinones",1]
["83-66-9","nitromusk ambrette;musk ambrette;benzene, 1-(1,1-dimethylethyl)-2-methoxy-4-methy;4-tert-butyl-3-methoxy-2,6-dinitrotoluene;benzene, 1-(1,1-dimethylethyl)-2-methoxy-4-methyl-3,5-dinitro-;1-tert-butyl-2-methoxy-4-methyl-3,5-dinitrobenzene;4tert.butyl3methoxy2,6dinitrotoluene (muskambrette);6-tert-butyl-2,4-dinitro-3-methylanisole;anisole, 6-tert-butyl-3-methyl-2,4-dinitro-","C(C)(C)(C)c1c(OC)c(N(=O)=O)c(C)c(N(=O)=O)c1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["83-95-4","skimmianine;furo[2,3-b]quinoline, 4,7,8-trimethoxy-;furo(2,3-b)quinoline, 4,7,8-trimethoxy-","c12c(c(OC)c3c(c(OC)c(OC)cc3)n1)C=CO2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Moderate Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Heterocyclic Polycyclic Aromatic Hydrocarbons",1,"H-acceptor-path3-H-acceptor|Heterocyclic Polycyclic Aromatic Hydrocarbons",1]
["84-68-4","2,2'-dichlorobenzidine;2,2'-dichloro[1,1'-biphenyl]-4,4'-diamine;2,2'-dichlorobiphenyl-4,4'-diamine;(1,1'-biphenyl)-4,4'-diamine, 2,2'-dichloro- (9ci)","c1(-c2c(Cl)cc(N)cc2)c(Cl)cc(N)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"Primary aromatic amine, hydroxyl amine and its derived esters",1]
["84-88-8","8-hydroxyquinoline-5-sulfonic acid;8-hydroxy-quinoline-5-sulfonic acid;5-quinolinesulfonic acid, 8-hydroxy-;8-hydroxyquinoline-5-sulphonic acid","c1(S(=O)(=O)O)c2c(c(O)cc1)nccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["85-02-9","benzo[f]quinoline;benzo(f)quinoline;4-azaphenanthrene;benzo(f)-quinoline","c12c(c3c(cccc3)cc1)cccn2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Heterocyclic Polycyclic Aromatic Hydrocarbons",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons",1]
["85-33-6","lactaroviolin;1-azulenecarboxaldehyde, 7-isopropenyl-4-methyl- (8ci);1,3,5,7,9,11-guaiahexaen-15-al","C(=C)(C)c1cc2c(c(C)cc1)ccc2C=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Moderate Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Simple aldehyde (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Simple aldehyde",1,"Simple aldehyde",1]
["86-54-4","hydralazine","c1(NN)c2c(cccc2)cnn1_Cl{-}_R","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100(1,8-DNP6)","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found|Nucleophilic addition|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization >> Hydrazine Derivatives|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Hydrazine Derivatives",1,"No alert found|SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Hydrazine",1,"Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found|Nucleophilic addition|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization >> Hydrazine Derivatives|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Hydrazine Derivatives",1,"Hydrazine",1,"H-acceptor-path3-H-acceptor|Hydrazine",1]
["88-05-1","2,4,6-trimethylaniline","HN{+}(H)(.Cl{-})c1c(C)cc(C)cc1C","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0]
["88-88-0","2,4,6-trinitrochlorobenzene;picryl chloride;2-chloro-1,3,5-trinitrobenzene;benzene, 2-chloro-1,3,5-trinitro-","c1(N(=O)=O)c(Cl)c(N(=O)=O)cc(N(=O)=O)c1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"Nitro-aromatic",1]
["88-95-9","phthaloyl chloride;phthaloyl dichloride;1,2-benzenedicarbonyl dichloride;benzene-1,2-dicarbonyl dichloride;phthaloyl chloride (8ci)","C(=O)(Cl)c1c(C(=O)Cl)cccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Direct acylation involving a leaving group|SN2 >> Direct acylation involving a leaving group >> Acyl Halides",1,"Acylation|Acylation >> Direct Addition of an Acyl Halide|Acylation >> Direct Addition of an Acyl Halide >> Acyl halide",1,"Acyl halides (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct acylation involving a leaving group|SN2 >> Direct acylation involving a leaving group >> Acyl Halides",1,"Acyl halides",1,"Acyl halides|H-acceptor-path3-H-acceptor",1]
["89-58-7","2-nitro-p-xylene;benzene, 1,4-dimethyl-2-nitro-;1,4-dimethyl-2-nitrobenzene;nitro-p-xylene;p-xylene, 2-nitro-;89-58-7","c1(C)c(N(=O)=O)cc(C)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Nitro-aromatic",1,"Nitro-aromatic",1]
["92-24-0","naphthacene;tetracene","c12c(cc3c(cc4c(cccc4)c3)c1)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition",1,"Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1]
["92-31-9","c.i. basic blue 17;phenothiazin-5-ium, 3-amino-7-(dimethylamino)-2-methyl-, chloride","C12C(C=C(N)C(C)=C1)=S{+}(.Cl{-})c1c(ccc(N(C)C)c1)N=2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine",1,"Aromatic mono-and dialkylamine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aromatic mono-and dialkylamine",1,"Aromatic mono- and dialkylamine",1]
["92-36-4","4-(6-methyl-2-benzothiazolyl)benzenamine;benzenamine, 4-(6-methyl-2-benzothiazolyl)-;4-(6-methyl-benzothiazol-2-yl)-phenylamine;4-(6-methylbenzothiazol-2-yl)aniline;4-(6-methyl-2-benzothiazolyl)-benzenamine;benzothiazole, 2-(p-aminophenyl)-6-methyl-;4-(6-methyl-1,3-benzothiazol-2-yl)aniline","C1(c2ccc(N)cc2)=Nc2c(cc(C)cc2)S1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"Primary aromatic amine, hydroxyl amine and its derived esters",1]
["93-52-7","1,2-dibromo-1-phenylethane;(1,2-dibromoethyl)benzene;1,2-dibromo(phenyl)ethane;benzene, (1,2-dibromoethyl)-;1,2-dibromoethylbenzene","c1(C(Br)CBr)ccccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation >> Vicinal Dihaloalkanes",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes",1,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation >> Vicinal Dihaloalkanes",1,"Aliphatic halogens",1,"Aliphatic halogen",1]
["94-52-0","6-nitrobenzimidazole","c12c(cc(N(=O)=O)cc1)NC=N2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Imidazole, benzimidazole (Nongenotox)|Nitro-aromatic (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"No alert found",0,"Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["96-91-3","4,6-dinitro-2-aminophenol;amino-4,5-dinitrophenol;2-amino-4,6-dinitrophenol;picramic acid;phenol, 2-amino-4,6-dinitro-","c1(N)c(O)c(N(=O)=O)cc(N(=O)=O)c1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Nitro-aromatic (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic|Primary aromatic amine,hydroxyl amine and its derived esters",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["96-99-1","3-nitro-4-chlorobenzoic acid;4-chloro-3-nitro-benzoic acid;benzoic acid, 4-chloro-3-nitro-;4-chloro-3-nitrobenzoic acid;96-99-1","C(=O)(O)c1cc(N(=O)=O)c(Cl)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["97-32-5","4-methoxy-3-nitro-n-phenylbenzamide;benzamide, 4-methoxy-3-nitro-n-phenyl-;p-anisanilide, 3-nitro-","C(=O)(c1cc(N(=O)=O)c(OC)cc1)Nc1ccccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["97-52-9","2-amino-5-nitroanisole;benzenamine, 2-methoxy-4-nitro-;4-nitro-o-anisidine;o-anisidine, 4-nitro-;fast red b base;2-methoxy-4-nitroaniline;97-52-9","c1(N)c(OC)cc(N(=O)=O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Nitro-aromatic (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic|Primary aromatic amine,hydroxyl amine and its derived esters",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["99-33-2","3,5-dinitrobenzoyl chloride;benzoyl chloride, 3,5-dinitro-","C(=O)(Cl)c1cc(N(=O)=O)cc(N(=O)=O)c1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> Direct acylation involving a leaving group|SN2 >> Direct acylation involving a leaving group >> Acyl Halides",1,"Acylation|Acylation >> Direct Addition of an Acyl Halide|Acylation >> Direct Addition of an Acyl Halide >> Acyl halide|SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Acyl halides (Genotox)|Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> Direct acylation involving a leaving group|SN2 >> Direct acylation involving a leaving group >> Acyl Halides",1,"Acyl halides|Nitro-aromatic",1,"Acyl halides|Nitro-aromatic",1]
["100-13-0","4-nitrostyrene;benzene, 1-ethenyl-4-nitro- (9ci)","c1(C=C)ccc(N(=O)=O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Nitro-aromatic",1,"Nitro-aromatic",1]
["100-20-9","terephthaloyl chloride;1,4-benzenedicarbonyl dichloride;terephthaloyl dichloride;benzene-1,4-dicarbonyl dichloride","C(=O)(Cl)c1ccc(C(=O)Cl)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Direct acylation involving a leaving group|SN2 >> Direct acylation involving a leaving group >> Acyl Halides",1,"Acylation|Acylation >> Direct Addition of an Acyl Halide|Acylation >> Direct Addition of an Acyl Halide >> Acyl halide",1,"Acyl halides (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct acylation involving a leaving group|SN2 >> Direct acylation involving a leaving group >> Acyl Halides",1,"Acyl halides",1,"Acyl halides",1]
["100-22-1","n,n,n',n'-tetramethyl-p-phenylenediamine;n,n,n',n'-tetramethyl-benzene-1,4-diamine;n',n'-dimethyl-4-dimethylaminoaniline;1,4-benzenediamine, n,n,n’,n’-tetramethyl-;1,4-benzenediamine, n,n,n',n'-tetramethyl-;n,n,n',n'-tetramethylbenzene-1,4-diamine;1,4-benzenediamine, n1,n1,n4,n4-tetramethyl-","c1(N(C)C)ccc(N(C)C)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine",1,"Aromatic mono-and dialkylamine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aromatic mono-and dialkylamine",1,"Aromatic mono- and dialkylamine",1]
["100-27-6","4-nitrobenzeneethanol;2-(p-nitrophenyl)ethanol;p-nitrophenethyl alcohol;4-nitrophenethyl alcohol;benzeneethanol, 4-nitro-;phenethyl alcohol, p-nitro-;2-(4-nitrophenyl)ethanol","c1(N(=O)=O)ccc(CCO)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Nitro-aromatic",1,"Nitro-aromatic",1]
["100-65-2","phenylhydroxylamine;n-phenyl-hydroxylamine;n-phenylhydroxylamine;benzenamine, n-hydroxy-;n-hydroxyaniline;hydroxylamine, n-phenyl-;100-65-2","c1(NO)ccccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> N-hydroxylamines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic N-hydroxylamines",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> N-hydroxylamines",1,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["101-59-7","4-amino-4'-nitrodiphenyl thioether;aniline, p-((p-nitrophenyl)thio)- (6ci,7ci,8ci);4-(p-nitro)phenylthioaniline;4-(p-nitrophenylthio)aniline;4-[(4-nitrophenyl)sulfanyl]aniline","c1(Sc2ccc(N)cc2)ccc(N(=O)=O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Nitro-aromatic (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic|Primary aromatic amine,hydroxyl amine and its derived esters",1,"Nitro-aromatic|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["103-80-0","phenylacetyl chloride;benzeneacetyl chloride;acetyl chloride, phenyl-","c1(CC(=O)Cl)ccccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Acylation|Acylation >> Direct Addition of an Acyl Halide|Acylation >> Direct Addition of an Acyl Halide >> Acyl halide|Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes",1,"Acyl halides (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Acyl halides",1,"Acyl halides",1]
["104-03-0","p-nitrophenylacetic acid;p-nitrophenyl-acetic acid;4-nitrophenylacetic acid;benzeneacetic acid, 4-nitro-;acetic acid, (p-nitrophenyl)-;(4-nitrophenyl)acetic acid","c1(N(=O)=O)ccc(CC(=O)O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["105-11-3","p-quinone dioxime;1,4-benzoquinone;(1z,4z)-n,n'-dihydroxycyclohexa-2,5-diene-1,4-diimine;dioxime","c1(NO)ccc(N=O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> N-hydroxylamines|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic N-hydroxylamines|SN1 >> Nitrenium Ion formation >> Aromatic nitroso",1,"Aromatic nitroso group (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> N-hydroxylamines|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"Aromatic nitroso group|Primary aromatic amine,hydroxyl amine and its derived esters",1,"Aromatic nitroso group  |H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["107-94-8","3-chloropropionic acid;3-chloro-propionic acid;beta-chloro-propionic acid;3-chloropropanoic acid;propanoic acid, 3-chloro-;propionic acid, 3-chloro-","C(=O)(O)CCCl","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups",1,"SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides",1,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups",1,"Aliphatic halogens",1,"Aliphatic halogen|H-acceptor-path3-H-acceptor",1]
["107-99-3","n,n-dimethyl(2-chloroethyl)amine;dimethylaminoethyl chloride;2-chloroethyldimethylamine;ethanamine, 2-chloro-n,n-dimethyl-;ethylamine, 2-chloro-n,n-dimethyl-;2-chloro-n,n-dimethylethanamine","C(Cl)CN(C)C","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Nitrogen Mustards",1,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines|SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> Mustards",1,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0]
["115-02-6","azaserine;o-(diazoacetyl)-l-serine;serine, diazoacetate (ester);l-serine, diazoacetate (ester);115-02-6","C(=O)(O)C(N)COC(=O)C=N{+}=N{-}","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Carbenium Ion Formation|SN2 >> Carbenium Ion Formation >> Diazoalkanes",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Diazoalkanes",1,"Aliphatic azo and azoxy (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Carbenium Ion Formation|SN2 >> Carbenium Ion Formation >> Diazoalkanes",1,"Aliphatic azo and azoxy",1,"Aliphatic azo and azoxy|H-acceptor-path3-H-acceptor",1]
["119-15-3","4-(2,4-dinitroanilino)phenol;p-(2,4-dinitroaniline)phenol;phenol, 4-[(2,4-dinitrophenyl)amino]-;phenol, 4- (2,4-dinitrophenyl)amino -;phenol, p-(2,4-dinitroanilino)-;phenol, 4-Х(2,4-dinitrophenyl)aminoе-;4-[(2,4-dinitrophenyl)amino]phenol;phenol, 4-((2,4-dinitrophenyl)amino)-","c1(Nc2ccc(O)cc2)c(N(=O)=O)cc(N(=O)=O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["119-27-7","1-methoxy-2,4-dinitrobenzene;2,4-dinitroanisole;benzene, 1-methoxy-2,4-dinitro-;anisole, 2,4-dinitro-;anisole, 2,4-dinitro- (8ci)","c1(OC)c(N(=O)=O)cc(N(=O)=O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["120-22-9","p-nitrosodiethylaniline;benzenamine, n,n-diethyl-4-nitroso-;n,n-diethyl-4-nitrosoaniline","c1(N=O)ccc(N(CC)CC)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitroso|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine",1,"Aromatic mono-and dialkylamine (Genotox)|Aromatic nitroso group (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"Aromatic mono-and dialkylamine|Aromatic nitroso group",1,"Aromatic mono- and dialkylamine|Aromatic nitroso group  |H-acceptor-path3-H-acceptor",1]
["121-90-4","m-nitrobenzoyl chloride;benzoyl chloride, 3-nitro-;3-nitrobenzoyl chloride;benzoyl chloride, m-nitro-;121-90-4","C(=O)(Cl)c1cc(N(=O)=O)ccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> Direct acylation involving a leaving group|SN2 >> Direct acylation involving a leaving group >> Acyl Halides",1,"Acylation|Acylation >> Direct Addition of an Acyl Halide|Acylation >> Direct Addition of an Acyl Halide >> Acyl halide|SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Acyl halides (Genotox)|Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> Direct acylation involving a leaving group|SN2 >> Direct acylation involving a leaving group >> Acyl Halides",1,"Acyl halides|Nitro-aromatic",1,"Acyl halides|Nitro-aromatic",1]
["122-04-3","p-nitrobenzoyl chloride;benzoyl chloride, 4-nitro-;4-nitrobenzoyl chloride;benzoyl chloride, p-nitro-;122-04-3","C(=O)(Cl)c1ccc(N(=O)=O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> Direct acylation involving a leaving group|SN2 >> Direct acylation involving a leaving group >> Acyl Halides",1,"Acylation|Acylation >> Direct Addition of an Acyl Halide|Acylation >> Direct Addition of an Acyl Halide >> Acyl halide|SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Acyl halides (Genotox)|Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> Direct acylation involving a leaving group|SN2 >> Direct acylation involving a leaving group >> Acyl Halides",1,"Acyl halides|Nitro-aromatic",1,"Acyl halides|Nitro-aromatic",1]
["122-56-5","tributylborane;tri-n-butylborane;borane, tributyl-","B(CCCC)(CCCC)CCCC","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0]
["122-69-0","cinnamyl cinnamate;3-phenylprop-2-enyl cinnamate;2-propenoic acid, 3-phenyl-, 3-phenyl-2-propenyl ester;cinnamic acid, cinnamyl ester;styracin;(2e)-3-phenylprop-2-en-1-yl (2e)-3-phenylprop-2-enoate;122-69-0","C(=O)(C=Cc1ccccc1)OCC=Cc1ccccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["126-85-2","nitrogen mustard n-oxide;n,nbis(2chloroethyl)methylamine noxide anditssalts;bis(2-chloroethyl)methylamine oxide","C(Cl)CN{+}(C)(O{-})CCCl","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Nitrogen Mustards",1,"SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> Mustards",1,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Nitrogen Mustards",1,"Aliphatic halogens",1,"Aliphatic halogen",1]
["128-08-5","n-bromosuccinimide;2,5-pyrrolidinedione, 1-bromo-;succinimide, n-bromo-;1-bromopyrrolidine-2,5-dione;succinimide, n-bromo- (8ci)","C1(=O)CCC(=O)N1Br","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["129-66-8","2,4,6-trinitrobenzoic acid;2,4,6-trinitro-benzoic acid","C(=O)(O)c1c(N(=O)=O)cc(N(=O)=O)cc1N(=O)=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"No alert found",0,"No alert found",0,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["131-73-7","hexanitrodiphenylamine;hexonitrodiphenylamine;2,2,4,4,6,6-hexanitrodiphenylamine;bis-(2,4,6-trinitro-phenyl)-amine;2,2',4,4',6,6'-hexanitrodiphenylamine;dipicrylamine;benzenamine, 2,4,6-trinitro-n-(2,4,6-trinitrophenyl)-;2,4,6-trinitro-n-(2,4,6-trinitrophenyl)aniline","c1(N(=O)=O)c(Nc2c(N(=O)=O)cc(N(=O)=O)cc2N(=O)=O)c(N(=O)=O)cc(N(=O)=O)c1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["132-86-5","naphthoresorcinol;naphthalene-1,3-diol;1,3-naphthalenediol","c1(O)c2c(cc(O)c1)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0]
["134-50-9","9-aminoacridine hydrochloride","c12c(c(N)c3c(cccc3)n1)cccc2_Cl{-}_R","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition|No alert found",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Heterocyclic Polycyclic Aromatic Hydrocarbons|Primary aromatic amine,hydroxyl amine and its derived esters",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["135-49-9","acridine yellow;2,7-dimethylacridin-3,6-yldiamine hydrochloride;3,6-acridinediamine, 2,7-dimethyl-, monohydrochloride","c1(C)c(N)cc2c(cc3c(cc(N)c(C)c3)n2)c1_Cl","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"No alert found|SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons|Primary aromatic amine,hydroxyl amine and its derived esters",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["135-68-2","4-amino-4'-chlorobiphenyl;4-amino-4'-chlorodiphenyl;4'-chlorobiphenyl-4-ylamine;4'-chlorobiphenyl-4-amine","c1(-c2ccc(N)cc2)ccc(Cl)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"Primary aromatic amine, hydroxyl amine and its derived esters",1]
["136-35-6","diazoaminobenzene;1,3-diphenyl-1-triazene;1-triazene, 1,3-diphenyl-;(1e)-1,3-diphenyltriaz-1-ene","c1(N=NNc2ccccc2)ccccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Carbenium Ion Formation|SN2 >> Carbenium Ion Formation >> Acyclic Triazenes",1,"No alert found",0,"Azide and triazene groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Carbenium Ion Formation|SN2 >> Carbenium Ion Formation >> Acyclic Triazenes",1,"Azide and triazene groups",1,"Azide and triazene groups|H-acceptor-path3-H-acceptor",1]
["137-30-4","ziram;zinc, bis(n,n-dimethylcarbamodithioato-.kappa.s,.kappa.s')-, (t-4)-;zinc dimethyldithiocarbamate;zinc, bis(dimethylcarbamodithioato-s,s')-, (t-4)-","C(=S)(N(C)C)S{-}.[Zn]{2+}.S{-}C(=S)N(C)C","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["138-89-6","p-nitrosodimethylaniline;dimethyl-(4-nitroso-phenyl)-amine;p-nitroso-n,n-dimethylaniline;n,n-dimethyl-p-nitrosoaniline;p-nitrosodimethylaniline (in german);n,n-dimethyl-4-nitroaniline;n,n-dimethyl-4-nitrosoaniline;benzenamine, n,n-dimethyl-4-nitroso-","c1(N=O)ccc(N(C)C)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitroso|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine",1,"Aromatic mono-and dialkylamine (Genotox)|Aromatic nitroso group (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"Aromatic mono-and dialkylamine|Aromatic nitroso group",1,"Aromatic mono- and dialkylamine|Aromatic nitroso group  |H-acceptor-path3-H-acceptor",1]
["140-56-7","fenaminosulf;fenaminosulf, formulated;sodium (e)-[4-(dimethylamino)phenyl]diazenesulfonate;diazenesulfonic acid, [4-(dimethylamino)phenyl]-, sodium salt;[4-(dimethylamino)phenyl]diazenesulfonic acid, sodium salt","c1(N=NS(=O)(=O)O{-}.[Na]{+})ccc(N(C)C)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["146-59-8","icr 170","c12c(c(NCCCN(CCCl)CC)c3c(cc(Cl)cc3)n1)cc(OC)cc2_Cl{-}_Cl{-}_R_R","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aminoacridine Derivatives|SN2|SN2 >> Direct acting aziridines|SN2 >> Direct acting aziridines >> Aminoacridine Derivatives|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Nitrogen Mustards",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition|No alert found|SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines|SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> Mustards",1,"Halogenated benzene (Nongenotox)|Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"No alert found|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aminoacridine Derivatives|SN2|SN2 >> Direct acting aziridines|SN2 >> Direct acting aziridines >> Aminoacridine Derivatives|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Nitrogen Mustards",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons",1]
["185-75-1","3-tetrahydropyranylidene oxide","C12(CCCOC1)CO2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",{"$f":"IF(W515=\"No alert found\",0,1)","v":1},"SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides",1,"Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity",{"$f":"IF(AA515=\"No alert found\",0,1)","v":1},"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",{"$f":"IF(AC515=\"No alert found\",0,1)","v":1},"Epoxides and aziridines",{"$f":"IF(AE515=\"No alert found\",0,1)","v":1},"Epoxides and aziridines|H-acceptor-path3-H-acceptor",{"$f":"IF(AG515=\"No alert found\",0,1)","v":1}]
["189-55-9","dibenzo[a,i]pyrene;dibenzo(a,i)pyrene;benzo(r,s,t)pentaphene;benzo[rst]pentaphene","c12c(c3c4c5c(c6c(cc5ccc4c1)cccc6)cc3)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition|SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1",1,"Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1]
["191-26-4","anthanthrene;dibenzo(def,mno)chrysene;dibenzo[def,mno]chrysene;naphtho[7,8,1,2,3-nopqr]tetraphene","c12c3c4c5c6c(cc4ccc3ccc1)cccc6ccc5c2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"No alert found",0,"Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1]
["191-30-0","dibenzo[def,p]chrysene;dibenzo[a,l]pyrene;naphtho[1,2,3,4-pqr]tetraphene;dibenzo(def,p)chrysene","c12c3c(c4c(c5c6c(cc(c35)cc1)cccc6)cccc4)ccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition|SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1",1,"Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1]
["192-65-4","dibenzo[a,e]pyrene;naphtho[1,2,3,4-def]chrysene;dibenzo[f,pqr]tetraphene;naphtho(1,2,3,4-def)chrysene","c12c(c3c4c(c5c(c6c4c(ccc6)cc3)cccc5)c1)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition|SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1",1,"Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1]
["193-98-6","2-azapyrene;naphth(2,1,8-def)isoquinoline","c12c3c4c(ccc3ccc1)cncc4cc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Heterocyclic Polycyclic Aromatic Hydrocarbons|Polycyclic Aromatic Hydrocarbons",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons|Polycyclic Aromatic Hydrocarbons",1]
["194-03-6","4-azapyrene;benzo(l m n)phenanthridine;benzo[lmn]phenanthridine","c12c3c4c(ccc3ccc1)cccc4cn2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"No alert found",0,"Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons|Polycyclic Aromatic Hydrocarbons",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons|Polycyclic Aromatic Hydrocarbons",1]
["195-52-8","phenanthro(3,4-b)thiophene","c12c(c3c4c(ccc3cc1)cccc4)C=CS2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1",1,"Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1]
["195-68-6","phenanthro(4,3-b)thiophene","c12c(c3c4c(C=CS4)ccc3cc1)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1",1,"Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1]
["196-77-0","benzo[def]cyclopenta[hi]chrysene;benzo(def)cyclopenta(hi)chrysene","c12c3c4c(c5c6c(c4ccc3ccc1)C=Cc6ccc5)cc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"No alert found",0,"Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1]
["201-06-9","acephenanthrylene","c12c(c3c4c(C=Cc4ccc3)c1)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1",1,"Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1]
["202-03-9","aceanthrylene","c12c(c3c4c(C=C3)cccc4c1)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition",1,"Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1]
["202-98-2","4,5-methanochrysene;4h-cyclopenta(def)chrysene","c12c3c4c(c5c(cc4Cc3ccc1)cccc5)cc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1",1,"Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1]
["203-33-8","benz[a]aceanthrylene;benz(a)aceanthrylene","c12c(c3c4c(c5c3c(ccc5)c1)cccc4)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition",1,"Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1]
["203-64-5","4-h-cyclopenta[d,e,f]phenanthrene;4,5-methylenephenanthrene;cyclopentaphenanthrene;4h-cyclopenta[def]phenanthrene;4-h-cyclopenta(d,e,f)phenanthrene","c12c3c4c(ccc3ccc1)cccc4C2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"No alert found",0,"Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1]
["207-08-9","benzo[k]fluoranthene;benzo(k)fluoranthene;pl-106995","c12c3c(c4c(c3ccc1)cc1c(cccc1)c4)ccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1]
["212-54-4","13h-indeno[1,2-c]phenanthrene;13h-indeno(1,2-c)phenanthrene","c12-c3c(c4c5c(ccc4cc3)cccc5)Cc1cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1",1,"Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1]
["215-62-3","dibenz[a,c]acridine;dibenz(a,c)acridine","c12c(c3c(c4c1cc1c(cccc1)n4)cccc3)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Moderate Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition|SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons|Polycyclic Aromatic Hydrocarbons",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons|Polycyclic Aromatic Hydrocarbons",1]
["216-48-8","benz[j]acephenanthrylene;benz(j)acephenanthrylene","c12c(c3c(c4c5c(C=Cc5ccc4)c3)cc1)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1",1,"Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1]
["217-59-4","triphenylene","c12c(c3c(c4c1cccc4)cccc3)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1",1,"Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1]
["218-02-0","2-azachrysene;naphth(2,1-f)isoquinoline","c12c(c3c(c4c(cccc4)cc3)cc1)ccnc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons|Polycyclic Aromatic Hydrocarbons",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons|Polycyclic Aromatic Hydrocarbons",1]
["218-08-6","1-azachrysene;naphtho(2,1-f)quinoline","c12c(c3c(c4c(cccc4)cc3)cc1)cccn2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons|Polycyclic Aromatic Hydrocarbons",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons|Polycyclic Aromatic Hydrocarbons",1]
["218-19-9","4-azachrysene;naphtho(1,2-h)quinoline","c12c(c3c(c4c(cccc4)cc3)cc1)nccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons|Polycyclic Aromatic Hydrocarbons",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons|Polycyclic Aromatic Hydrocarbons",1]
["224-42-0","dibenz[a,j]acridine;dibenz(a,j)acridine","c12c(c3c(cccc3)cc1)cc1c3c(ccc1n2)cccc3","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Moderate Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Heterocyclic Polycyclic Aromatic Hydrocarbons",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons",1]
["224-53-3","dibenz[c,h]acridine;3,4,5,6-dibenzacridine;dibenz(c,h)acridine","c12c(c3c(cc4c(c5c(cccc5)cc4)n3)cc1)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Moderate Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Heterocyclic Polycyclic Aromatic Hydrocarbons",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons",1]
["226-36-8","dibenz[a,h]acridine;dibenz(a,h)acridine","c12c(c3c(cc4c5c(ccc4n3)cccc5)cc1)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Moderate Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Heterocyclic Polycyclic Aromatic Hydrocarbons",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons",1]
["230-46-6","1,7-phenanthroline;[1,7]phenanthroline;dr9803632","c12c(c3c(cccn3)cc1)cccn2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Moderate Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Heterocyclic Polycyclic Aromatic Hydrocarbons",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons",1]
["239-35-0","benzo[b]naphtho[2,1-d]thiophene;benzo(b)naphtho(2,1-d)thiophene;11-thiabenzo[a]fluorene;benzo(b)naphtho(2,1-d)thiophene (8ci)(9ci)","c12-c3c(c4c(cccc4)cc3)Sc1cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Heterocyclic Polycyclic Aromatic Hydrocarbons",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons",1]
["298-83-9","nitroblue tetrazolium","c1(-c2cc(OC)c(N{+}3(.Cl{-})N(c4ccc(N(=O)=O)cc4)N=C(c4ccccc4)N=3)cc2)cc(OC)c(N{+}2(.Cl{-})N(c3ccc(N(=O)=O)cc3)N=C(c3ccccc3)N=2)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic azo|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Hydrazine (Genotox)|Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Hydrazine|Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Hydrazine|Nitro-aromatic",1]
["299-75-2","treosulphan;treosulfan;2,3-dihydroxybutane-1,4-diyl dimethanesulfonate;threitol, 1,4-dimethanesulfonate, (2s,3s)- (8ci);threitol;(2<i>s</i>,3<i>s</i>)-form, 1,4-dimesyl","C(O)(C(O)COS(C)(=O)=O)COS(C)(=O)=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Sulfonates and Sulfates",1,"SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Sulfonates",1,"No alert found",0,"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Sulfonates and Sulfates",1,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["304-20-1","hydralazine hydrochloride","c1(NN)c2c(cccc2)cnn1_Cl{-}_R","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found|Nucleophilic addition|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization >> Hydrazine Derivatives|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Hydrazine Derivatives",1,"No alert found|SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Hydrazine",1,"Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found|Nucleophilic addition|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization >> Hydrazine Derivatives|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Hydrazine Derivatives",1,"Hydrazine",1,"H-acceptor-path3-H-acceptor|Hydrazine",1]
["304-28-9","2,7-bis(acetylamino)fluorene;2,7-acetylaminofluorene;n,n'-9h-fluorene-2,7-diylbisacetamide;n,n'-9h-fluorene-2,7-diyldiacetamide;acetamide, n,n'-9h-fluorene-2,7-diylbis- (9ci)","c12-c3c(cc(NC(C)=O)cc3)Cc1cc(NC(C)=O)cc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Aromatic N-acyl amine (Genotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aromatic N-acyl amine|Polycyclic Aromatic Hydrocarbons",1,"Aromatic N-acyl amine|H-acceptor-path3-H-acceptor|Polycyclic Aromatic Hydrocarbons",1]
["304-81-4","phenazin;phenazine 5-oxide;phenazine, 5-oxide;304-81-4","c12c(cccc1)nc1c(cccc1)n2=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Moderate Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition",1,"Aromatic ring N-oxide (Genotox)|Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aromatic ring N-oxide|Heterocyclic Polycyclic Aromatic Hydrocarbons",1,"Aromatic ring N-oxide|H-acceptor-path3-H-acceptor|Heterocyclic Polycyclic Aromatic Hydrocarbons",1]
["313-80-4","1-azapyrene;naphtho(2,1,8-def)quinoline","c12c3c4c(ccc3ccc1)ccnc4cc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Heterocyclic Polycyclic Aromatic Hydrocarbons|Polycyclic Aromatic Hydrocarbons",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons|Polycyclic Aromatic Hydrocarbons",1]
["314-13-6","c.i. direct blue 53","C1(=NNc2c(C)cc(-c3cc(C)c(NN=C4C(=O)c5c(N)c(S(=O)(=O)O{-}.[Na]{+})cc(S(=O)(=O)O{-}.[Na]{+})c5C=C4)cc3)cc2)C(=O)c2c(N)c(S(=O)(=O)O{-}.[Na]{+})cc(S(=O)(=O)O{-}.[Na]{+})c2C=C1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Specific Imine and Thione Derivatives|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN2|SN2 >> Diazonium ion formation|SN2 >> Diazonium ion formation >> Specific Imine and Thione Derivatives",1,"No alert found",0,"Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Specific Imine and Thione Derivatives|SN2|SN2 >> Diazonium ion formation|SN2 >> Diazonium ion formation >> Specific Imine and Thione Derivatives",1,"Hydrazine",1,"H-acceptor-path3-H-acceptor|Hydrazine",1]
["316-14-3","6-methylbenz[a]anthracene;benz[a]anthracene, 6-methyl-;benz(a)anthracene, 6-methyl-","c1(C)c2c(c3c(cccc3)c1)cc1c(cccc1)c2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition|SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1",1,"Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1]
["316-49-4","4-methylbenz[a]anthracene;4-methylbenz(a)anthracene","c1(C)c2c(c3c(cccc3)c1)cc1c(cccc1)c2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition|SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1",1,"Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1]
["333-27-7","methyl trifluoromethane sulfonate;methyl trifluoromethanesulphonate;methanesulfonic acid, trifluoro-, methyl ester;methyl trifluoromethanesulfonate;methanesulfonic acid, 1,1,1-trifluoro-, methyl ester","C(F)(F)(F)S(=O)(=O)OC","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Sulfonates and Sulfates",1,"No alert found",0,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Sulfonates and Sulfates",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid|H-acceptor-path3-H-acceptor",1]
["334-22-5","bis(2-chloroethyl)amine","HN{+}(.Cl{-})(CCCl)CCCl","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Nitrogen Mustards",1,"SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> Mustards",1,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aliphatic halogens",1,"Aliphatic halogen",1]
["366-18-7","2,2'-dipyridyl;[2,2']bipyridinyl;2,2-bipyridine;2-(2-pyridyl)pyridine;2,2'-bipyridyl;2,2’-bipyridine;umdipyridyl (dp);2,2'-bipyridine;alpha, alpha'-dipyridyl","c1(-c2ccccn2)ccccn1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["369-57-3","benzenediazonium tetrafluoroborate","B{-}(F)(F)(F)(F).N{+}(#N)c1ccccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Free radical formation|Radical >> Free radical formation >> Arenediazonium Salts|SN2|SN2 >> Carbenium Ion Formation|SN2 >> Carbenium Ion Formation >> Arenediazonium Salts",1,"No alert found",0,"No alert found",0,"Radical|Radical >> Free radical formation|Radical >> Free radical formation >> Arenediazonium Salts|SN2|SN2 >> Carbenium Ion Formation|SN2 >> Carbenium Ion Formation >> Arenediazonium Salts",1,"No alert found",0,"No alert found",0]
["393-52-2","2-fluorobenzoyl chloride;benzoyl chloride, 2-fluoro-","C(=O)(Cl)c1c(F)cccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Direct acylation involving a leaving group|SN2 >> Direct acylation involving a leaving group >> Acyl Halides",1,"Acylation|Acylation >> Direct Addition of an Acyl Halide|Acylation >> Direct Addition of an Acyl Halide >> Acyl halide",1,"Acyl halides (Genotox)|Halogenated benzene (Nongenotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"SN2|SN2 >> Direct acylation involving a leaving group|SN2 >> Direct acylation involving a leaving group >> Acyl Halides",1,"Acyl halides",1,"Acyl halides",1]
["420-12-2","ethylene sulfide;epithioethane;thiirane;420-12-2","C1CS1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Sulfuranes",1,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0]
["448-97-5","3,3'-difluorobenzidine;(1,1'-biphenyl)-4,4'-diamine, 3,3'-difluoro- (9ci)","c1(-c2cc(F)c(N)cc2)cc(F)c(N)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"Primary aromatic amine, hydroxyl amine and its derived esters",1]
["456-27-9","p-nitrophenyldiazonium fluoborate;benzenediazonium, 4-nitro-, tetrafluoroborate(1-);4-nitrobenzenediazonium tetrafluoroborate","B{-}(F)(F)(F)(F).N{+}(#N)c1ccc(N(=O)=O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Free radical formation|Radical >> Free radical formation >> Arenediazonium Salts|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> Carbenium Ion Formation|SN2 >> Carbenium Ion Formation >> Arenediazonium Salts",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Free radical formation|Radical >> Free radical formation >> Arenediazonium Salts|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> Carbenium Ion Formation|SN2 >> Carbenium Ion Formation >> Arenediazonium Salts",1,"Nitro-aromatic",1,"Nitro-aromatic",1]
["459-44-9","p-methylphenyldiazonium fluoborate;4-methylbenzenediazonium tetrafluoroborate;benzenediazonium, 4-methyl-, tetrafluoroborate(1-)","B{-}(F)(F)(F)(F).N{+}(#N)c1ccc(C)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Free radical formation|Radical >> Free radical formation >> Arenediazonium Salts|SN2|SN2 >> Carbenium Ion Formation|SN2 >> Carbenium Ion Formation >> Arenediazonium Salts",1,"No alert found",0,"No alert found",0,"Radical|Radical >> Free radical formation|Radical >> Free radical formation >> Arenediazonium Salts|SN2|SN2 >> Carbenium Ion Formation|SN2 >> Carbenium Ion Formation >> Arenediazonium Salts",1,"No alert found",0,"No alert found",0]
["475-38-7","naphthazarine;5,8-dihydroxy-[1,4]naphthoquinone;1,4-naphthalenedione, 5,8-dihydroxy-;5,8-dihydroxy-1,4-naphthoquinone;5,8-dihydroxynaphthalene-1,4-dione;1,4-naphthalenedione, 5,8-dihydroxy- (9ci)","C1(=O)c2c(C(=O)C=C1)c(O)ccc2O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated ketones|Michael addition >> Quinones and Quinone-type Chemicals|Michael addition >> Quinones and Quinone-type Chemicals >> Quinones",1,"Quinones (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Quinones",1,"H-acceptor-path3-H-acceptor|Quinones",1]
["475-75-2","liriodenine;8h-benzo(g)-1,3-benzodioxolo(6,5,4-de)quinolin-8-one (9ci)","c12C(=O)c3c(-c4c5c(cc(c14)ccn2)OCO5)cccc3","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"1,3-Benzodioxoles (Nongenotox)|o-phenylphenol (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["475-80-9","aristolochic acid ii;6-nitrophenanthro[3,4-d]-1,3-dioxole-5-carboxylic acid;6-nitrophenanthro[3,4-d][1,3]dioxole-5-carboxylic acid;aristolochicacidandits salts;aristolochia spp.andtheir preparations;phenanthro(3,4-d)-1,3-dioxole-5-carboxylic acid, 6-nitro-","C(=O)(O)c1c2c(c3c(cc2N(=O)=O)cccc3)c2c(c1)OCO2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"1,3-Benzodioxoles (Nongenotox)|Nitro-aromatic (Genotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Nitro-aromatic|Polycyclic Aromatic Hydrocarbons",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic|Polycyclic Aromatic Hydrocarbons",1]
["476-57-3","erythroglaucin;9,10-anthracenedione, 1,4,5-trihydroxy-7-methoxy-2-methyl- (9ci)","c12C(=O)c3c(C(=O)c1c(O)c(C)cc2O)cc(OC)cc3O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Alkyl phenols|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones",1,"Quinones (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones",1,"Quinones",1,"H-acceptor-path3-H-acceptor|Quinones",1]
["477-73-6","safranin t","c1(N)c(C)c2c(cc1)n{+}(.Cl{-})(-c1ccccc1)c1c(cc(C)c(N)c1)n2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons|Primary aromatic amine,hydroxyl amine and its derived esters",1,"H-acceptor-path3-H-acceptor|Heterocyclic Polycyclic Aromatic Hydrocarbons|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["477-83-8","damnacanthol;damnacaol","c12C(=O)c3c(C(=O)c1c(OC)c(CO)c(O)c2)cccc3","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones",1,"No alert found",0,"Quinones (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones",1,"Quinones",1,"H-acceptor-path3-H-acceptor|Quinones",1]
["479-45-8","nitramine;tetryl;aniline, n-methyl-n,2,4,6-tetranitro-;n-methyl-n,2,4,6-tetranitroaniline;benzenamine, n-methyl-n,2,4,6-tetranitro-;n-methyl-n,2,4,6-tetranitrobenzenamine","c1(N(=O)=O)c(N(C)N(=O)=O)c(N(=O)=O)cc(N(=O)=O)c1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Aliphatic N-Nitro|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["481-73-2","omega-hydroxyemodin;9,10-anthracenedione, 1,3,8-trihydroxy-6-(hydroxymethyl)-","c12C(=O)c3c(C(=O)c1c(O)cc(CO)c2)c(O)cc(O)c3","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones",1,"No alert found",0,"Quinones (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones",1,"Quinones",1,"H-acceptor-path3-H-acceptor|Quinones",1]
["482-35-9","isoquercetin;quercetin-3-glucoside","C1(OC2C(O)C(O)C(O)C(CO)O2)C(=O)c2c(O)cc(O)cc2OC=1c1cc(O)c(O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones",1,"Quercetin type flavonoids (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["484-08-2","kokusaginine;furo(2,3-b)quinoline, 4,6,7-trimethoxy-","c12c(c(OC)c3c(cc(OC)c(OC)c3)n1)C=CO2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Heterocyclic Polycyclic Aromatic Hydrocarbons",1,"H-acceptor-path3-H-acceptor|Heterocyclic Polycyclic Aromatic Hydrocarbons",1]
["484-17-3","9-hydroxyphenanthrene;phenanthren-9-ol","c1(O)c2c(c3c(cccc3)c1)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1",1,"Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1]
["488-11-9","mucobromic acid;(z)-2,3-dibromo-4-oxo-but-2-enoic acid;2-butenoic acid, 2,3-dibromo-4-oxo-, (2z)-;(2z)-2,3-dibromo-4-oxobut-2-enoic acid;2-butenoic acid, 2,3-dibromo-4-oxo-, (z)-;malealdehydic acid, dibromo- (8ci)","C(=O)(O)C(Br)=C(Br)C=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Acylation|Acylation >> Acyl transfer via nucleophilic addition reaction|Acylation >> Acyl transfer via nucleophilic addition reaction >> Haloalkenes with Electron-Withdrawing Groups|Michael addition|Michael addition >> alpha, beta-unsaturated carabonyl compounds|Michael addition >> alpha, beta-unsaturated carabonyl compounds >> Alpha, Beta-Unsaturated Aldehydes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Alpha, Beta-Unsaturated Aldehydes|SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Haloalkenes with Electron-Withdrawing Groups|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Haloalkenes with Electron-Withdrawing Groups|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives",1,"No alert found",0,"alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Acylation|Acylation >> Acyl transfer via nucleophilic addition reaction|Acylation >> Acyl transfer via nucleophilic addition reaction >> Haloalkenes with Electron-Withdrawing Groups|Michael addition|Michael addition >> alpha, beta-unsaturated carabonyl compounds|Michael addition >> alpha, beta-unsaturated carabonyl compounds >> Alpha, Beta-Unsaturated Aldehydes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Alpha, Beta-Unsaturated Aldehydes|SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Haloalkenes with Electron-Withdrawing Groups|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Haloalkenes with Electron-Withdrawing Groups|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives",1,"alpha,beta-unsaturated carbonyls",1,"alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor",1]
["491-64-5","isogentisin;9h-xanthen-9-one, 1,3-dihydroxy-7-methoxy- (9ci)","c12C(=O)c3c(O)cc(O)cc3Oc1ccc(OC)c2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"1-phenoxy-benzene|H-acceptor-path3-H-acceptor",1]
["495-18-1","n-hydroxybenzamide;n-hydroxy-benzamide;benzohydroxamic acid;benzohydroxamic-acid-;benzamide, n-hydroxy-","C(=O)(c1ccccc1)NO","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> N-hydroxylamines",1,"No alert found",0,"No alert found",0,"SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> N-hydroxylamines",1,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["495-48-7","azoxybenzene","c1(N{-}N{+}(=O)c2ccccc2)ccccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0]
["496-14-0","isocoumarin;phthalan;1,3-dihydroisobenzofuran;1,3-dihydro-2-benzofuran;isobenzofuran, 1,3-dihydro-","c12c(cccc1)COC2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes",1,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0]
["496-72-0","3,4-diaminotoluene;4-methyl-benzene-1,2-diamine;4-methyl-o-phenylenediamine;2-amino-4-methylaniline;1,2-benzenediamine, 4-methyl-;toluene-3,4-diamine;3,4-toluenediamine;4-methylbenzene-1,2-diamine;toluene3,4diamine anditssalts,whenusedasasubstanceinhairdye products","c1(N)c(N)cc(C)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["501-30-4","kojic acid;5-hydroxy-2-hydroxymethyl-pyran-4-one;4h-pyran-4-one, 5-hydroxy-2-(hydroxymethyl)-;5-hydroxy-2-hydroxymethyl-4-pyrone;5-hydroxy-2-(hydroxymethyl)-4h-pyran-4-one","C1(O)C(=O)C=C(CO)OC=1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"alpha,beta-unsaturated carbonyls",1,"alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor",1]
["503-09-3","1,2-epoxy-3-fluoropropane;epifluorohydrin;2-(fluoromethyl)oxirane","C1(CF)CO1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",{"$f":"IF(W579=\"No alert found\",0,1)","v":1},"SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides",1,"Aliphatic halogens (Genotox)|Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity",{"$f":"IF(AA579=\"No alert found\",0,1)","v":1},"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",{"$f":"IF(AC579=\"No alert found\",0,1)","v":1},"Aliphatic halogens|Epoxides and aziridines",{"$f":"IF(AE579=\"No alert found\",0,1)","v":1},"Aliphatic halogen|Epoxides and aziridines",{"$f":"IF(AG579=\"No alert found\",0,1)","v":1}]
["504-78-9","thiazolidine","HN{+}1CCSC1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0]
["505-57-7","2-hexenal;2-hexenal(trans);hexenal, 2- (trans);hex-2-enal","C(=O)C=CCCC","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 104","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Michael addition|Michael addition >> alpha, beta-unsaturated carabonyl compounds|Michael addition >> alpha, beta-unsaturated carabonyl compounds >> Alpha, Beta-Unsaturated Aldehydes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Alpha, Beta-Unsaturated Aldehydes",1,"Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated aldehydes",1,"alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Michael addition|Michael addition >> alpha, beta-unsaturated carabonyl compounds|Michael addition >> alpha, beta-unsaturated carabonyl compounds >> Alpha, Beta-Unsaturated Aldehydes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Alpha, Beta-Unsaturated Aldehydes",1,"alpha,beta-unsaturated carbonyls",1,"alpha,beta-unsaturated carbonyls",1]
["507-19-7","tert-butyl bromide;2-bromo-2-methylpropane;propane, 2-bromo-2-methyl-","C(C)(C)(C)Br","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Monohaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Monohaloalkanes|SN2 >> Ring opening SN2 reaction|SN2 >> Ring opening SN2 reaction >> Monohaloalkanes",1,"No alert found",0,"No alert found",0,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Monohaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Monohaloalkanes|SN2 >> Ring opening SN2 reaction|SN2 >> Ring opening SN2 reaction >> Monohaloalkanes",1,"No alert found",0,"No alert found",0]
["513-31-5","2,3-dibromopropene;2,3-dibromo-1-propene;1-propene, 2,3-dibromo-;2,3-dibromoprop-1-ene;propene, 2,3-dibromo- (8ci)","C(=C)(Br)CBr","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives",1,"No alert found",0,"Aliphatic halogens (Genotox)|Monohaloalkene (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives",1,"Aliphatic halogens|Monohaloalkene",1,"Aliphatic halogen|Monohaloalkene",1]
["513-88-2","1,1-dichloropropanone;1,1-dichloroacetone;1,1-dichloropropan-2-one;2-propanone, 1,1-dichloro-","C(C)(=O)C(Cl)Cl","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups",1,"No alert found",0,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups",1,"Aliphatic halogens",1,"Aliphatic halogen",1]
["515-46-8","ethyl benzenesulfonate;ethyl benzenesulphonate;benzenesulfonic acid, ethyl ester","c1(S(=O)(=O)OCC)ccccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Sulfonates and Sulfates",1,"No alert found",0,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Sulfonates and Sulfates",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid|H-acceptor-path3-H-acceptor",1]
["517-66-8","dicentrine;6aalpha-aporphine, 9,10-dimethoxy-1,2-(methylenedioxy)- (8ci)","c12-c3c4c(cc5c3C(Cc1cc(OC)c(OC)c2)N(C)CC5)OCO4","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"1,3-Benzodioxoles (Nongenotox)|o-phenylphenol (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["517-82-8","echinochrome a","C1(O)C(=O)C(=O)C(O)=C2C(O)=C(O)C(CC)=C(O)C=12","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones",1,"No alert found",0,"alpha,beta-unsaturated carbonyls (Genotox)|Quinones (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones",1,"alpha,beta-unsaturated carbonyls|Quinones",1,"alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor|Quinones",1]
["518-83-2","1,3-dihydroxyanthraquinone;9,10-anthracenedione, 1,3-dihydroxy-;1,3-dihydroxy-9,10-anthracenedione;9,10-anthracenedione, 1,3-dihydroxy- (9ci)","c12C(=O)c3c(C(=O)c1c(O)cc(O)c2)cccc3","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Moderate Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones",1,"No alert found",0,"Quinones (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones",1,"Quinones",1,"H-acceptor-path3-H-acceptor|Quinones",1]
["522-06-5","flindersiamine;1,3-dioxolo(4,5-g)furo(2,3-b)quinoline, 4,9-dimethoxy-","c12c(c(OC)c3c(c(OC)c4c(c3)OCO4)n1)C=CO2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"1,3-Benzodioxoles (Nongenotox)|Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"No alert found",0,"Heterocyclic Polycyclic Aromatic Hydrocarbons",1,"1,3-dialkoxy-benzene|H-acceptor-path3-H-acceptor|Heterocyclic Polycyclic Aromatic Hydrocarbons",1]
["522-19-0","maculosidine;furo(2,3-b)quinoline, 4,6,8-trimethoxy-","c12c(c(OC)c3c(c(OC)cc(OC)c3)n1)C=CO2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Heterocyclic Polycyclic Aromatic Hydrocarbons",1,"1,3-dialkoxy-benzene|H-acceptor-path3-H-acceptor|Heterocyclic Polycyclic Aromatic Hydrocarbons",1]
["523-66-0","evolitrine;furo(2,3-b)quinoline, 4,7-dimethoxy-","c12c(c(OC)c3c(cc(OC)cc3)n1)C=CO2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Heterocyclic Polycyclic Aromatic Hydrocarbons",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons",1]
["524-15-2","gamma-fagarine;furo(2,3-b)quinoline, 4,8-dimethoxy-","c12c(c(OC)c3c(c(OC)ccc3)n1)C=CO2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Heterocyclic Polycyclic Aromatic Hydrocarbons",1,"H-acceptor-path3-H-acceptor|Heterocyclic Polycyclic Aromatic Hydrocarbons",1]
["524-89-0","maculine;1,3-dioxolo(4,5-g)furo(2,3-b)quinoline, 9-methoxy-","c12c(c(OC)c3c(cc4c(c3)OCO4)n1)C=CO2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"1,3-Benzodioxoles (Nongenotox)|Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"No alert found",0,"Heterocyclic Polycyclic Aromatic Hydrocarbons",1,"H-acceptor-path3-H-acceptor|Heterocyclic Polycyclic Aromatic Hydrocarbons",1]
["525-64-4","2,7-diaminofluorene","HN{+}(H)(.Cl{-})c1cc2c(-c3c(cc(N)cc3)C2)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Polycyclic Aromatic Hydrocarbons (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Polycyclic Aromatic Hydrocarbons|Primary aromatic amine,hydroxyl amine and its derived esters",1,"Polycyclic Aromatic Hydrocarbons|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["528-45-0","3,4-dinitrobenzoic acid;3,4-dinitro-benzoic acid;benzoic acid, 3,4-dinitro-","C(=O)(O)c1cc(N(=O)=O)c(N(=O)=O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["528-75-6","2,4-dinitrobenzaldehyde;benzaldehyde, 2,4-dinitro-","c1(N(=O)=O)c(C=O)ccc(N(=O)=O)c1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Simple aldehyde (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic|Simple aldehyde",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic|Simple aldehyde",1]
["529-49-7","gentisein;xanthen-9-one, 1,3,7-trihydroxy-","c12C(=O)c3c(O)cc(O)cc3Oc1ccc(O)c2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"1-phenoxy-benzene|H-acceptor-path3-H-acceptor",1]
["531-53-3","azure a;3-amino-7-dimethylaminophenothiazin-5-ium chloride;phenothiazin-5-ium, 3-amino-7-(dimethylamino)-, chloride","C12C(C=C(N)C=C1)=S{+}(.Cl{-})c1c(ccc(N(C)C)c1)N=2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality, Conflict","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine",1,"Aromatic mono-and dialkylamine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aromatic mono-and dialkylamine",1,"Aromatic mono- and dialkylamine",1]
["531-55-5","azure b","C12C(C=C(N(C)C)C=C1)=S{+}(.Cl{-})c1c(ccc(NC)c1)N=2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Secondary aromatic amine",1,"Aromatic mono-and dialkylamine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aromatic mono-and dialkylamine",1,"Aromatic mono- and dialkylamine",1]
["531-57-7","azure c;3-amino-7-methylaminophenothiazin-5-ium chloride","C12C(C=C(N)C=C1)=S{+}(.Cl{-})c1c(ccc(NC)c1)N=2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality, Conflict","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Secondary aromatic amine",1,"Aromatic mono-and dialkylamine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aromatic mono-and dialkylamine",1,"Aromatic mono- and dialkylamine",1]
["532-82-1","chrysoidine","c1(N=Nc2ccccc2)c(N)cc(N)cc1_Cl{-}_R","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"No alert found|SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic azo|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Aromatic diazo (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Aromatic diazo|Primary aromatic amine,hydroxyl amine and its derived esters",1,"Aromatic diazo|H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["540-49-8","1,2-dibromoethylene;1,2-ethylene dibromide;1,2-dibromoethene;ethene, 1,2-dibromo-;(e)-1,2-dibromoethene;ethylene, 1,2-dibromo-","C(Br)=CBr","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0]
["547-58-0","methyl orange;benzenesulfonic acid, 4-[[4-(dimethylamino)phenyl]azo]-, sodium salt","c1(N=Nc2ccc(S(=O)(=O)O)cc2)ccc(N(C)C)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 102","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine",1,"Aromatic diazo (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aromatic diazo",1,"Aromatic diazo|H-acceptor-path3-H-acceptor",1]
["548-08-3","roemerine;5h-benzo(g)-1,3-benzodioxolo(6,5,4-de)quinoline, 6,7,7a,8-tetrahydro-7-methyl-, (7ar)-;(<i>r</i>)-form","c12-c3c4c(cc5c3C(Cc1cccc2)N(C)CC5)OCO4","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"1,3-Benzodioxoles (Nongenotox)|o-phenylphenol (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["548-39-0","phenalen-1-one;perinaphthenone;1h-phenalen-1-one;1h-phenalen-1-one (9ci)","C1(=O)c2c3c(C=C1)cccc3ccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0]
["548-42-5","agroclavine;8,9-didehydro-6,8-dimethylergoline;6,8-dimethyl-8,9-didehydroergoline;ergoline, 8,9-didehydro-6,8-dimethyl-","C12c3c(C4C=C(C)CN(C)C4C1)cccc3NC=2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0]
["550-60-7","1-nitro-2-naphthol;1-nitronaphthalen-2-ol;2-naphthalenol, 1-nitro- (9ci)","c1(O)c(N(=O)=O)c2c(cccc2)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["553-30-0","proflavine hemisulfate;proflavine sulphate;3,6-acridinediamine, sulfate (1:1);acridine-3,6-diamine sulfate","c12c(cc3c(cc(N)cc3)n1)ccc(N)c2_O=S(=O)(O)O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition|No alert found|SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons",1,"H-acceptor-path3-H-acceptor|Heterocyclic Polycyclic Aromatic Hydrocarbons",1]
["555-66-8","shogaol;4-decen-3-one, 1-(4-hydroxy-3-methoxyphenyl)-","c1(O)c(OC)cc(CCC(=O)C=CCCCCC)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Alkyl phenols|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated ketones",1,"alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"alpha,beta-unsaturated carbonyls",1,"alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor",1]
["558-30-5","2-methyl-1,2-epoxypropane;2,2-dimethyloxirane;oxirane, 2,2-dimethyl-;propane, 1,2-epoxy-2-methyl-;558-30-5","C1(C)(C)CO1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides",1,"Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Epoxides and aziridines",1,"Epoxides and aziridines",1]
["568-75-2","7-(hydroxymethyl)-12-methylbenz[a]anthracene;7-(hydroxymethyl)-12-methylbenz(a)anthracene","c12c(c3c(C)c4c(c(CO)c3cc1)cccc4)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition|SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1",1,"Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1]
["569-26-6","festuclavine;ergoline, 6,8beta-dimethyl- (8ci)","C12c3c(C4C(C1)N(C)CC(C)C4)cccc3NC=2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0]
["569-61-9","c.i. basic red 9 monohydrochloride","c1(C(c2ccc(N)cc2)=C2C=CC(=N)C=C2)ccc(N)cc1_Cl{-}_R","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Specific Imine and Thione Derivatives|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN2|SN2 >> Diazonium ion formation|SN2 >> Diazonium ion formation >> Specific Imine and Thione Derivatives",1,"No alert found|SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Specific Imine and Thione Derivatives|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN2|SN2 >> Diazonium ion formation|SN2 >> Diazonium ion formation >> Specific Imine and Thione Derivatives",1,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"Primary aromatic amine, hydroxyl amine and its derived esters",1]
["571-60-8","1,4-dihydroxynaphthalene;naphthalene-1,4-diol;1,4-naphthalenediol","c1(O)c2c(c(O)cc1)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 104","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones",1,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0]
["574-25-4","thioinosine;6-thioinosine","C1(=S)C2=C(N(C3C(O)C(O)C(CO)O3)C=N2)NC=N1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Specific Imine and Thione Derivatives|SN2|SN2 >> Diazonium ion formation|SN2 >> Diazonium ion formation >> Specific Imine and Thione Derivatives",1,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"Structural alert for nongenotoxic carcinogenicity|Thiocarbonyl (Nongenotox)",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Specific Imine and Thione Derivatives|SN2|SN2 >> Diazonium ion formation|SN2 >> Diazonium ion formation >> Specific Imine and Thione Derivatives",1,"No alert found",0,"H-acceptor-path3-H-acceptor|Oxolane",1]
["578-67-6","5-hydroxyquinoline","c1(O{-})c2c(ccc1)n{+}ccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0]
["580-19-8","7-aminoquinoline;quinolin-7-ylamine;7-quinolinamine (9ci)","c12c(cc(N)cc1)nccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Moderate Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"Primary aromatic amine, hydroxyl amine and its derived esters",1]
["580-22-3","2-aminoquinoline;quinolin-2-amine;2-quinolinamine;quinoline, 2-amino-","c12c(ccc(N)n1)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"Primary aromatic amine, hydroxyl amine and its derived esters",1]
["581-28-2","2-aminoacridine;acridin-2-ylamine;2-acridinamine (9ci)","c12c(cc3c(ccc(N)c3)n1)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Moderate Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition|SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons|Primary aromatic amine,hydroxyl amine and its derived esters",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["581-29-3","3-aminoacridine;acridin-3-ylamine;acridin-3-amine;3-acridinamine (9ci)","c12c(cc3c(cc(N)cc3)n1)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition|SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons|Primary aromatic amine,hydroxyl amine and its derived esters",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["581-46-4","3,3'-dipyridyl;[3,3']bipyridinyl;3,3'-bipyridine;3-(3-pyridyl)-pyridine","c1(-c2cccnc2)cccnc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0]
["585-08-0","phenanthrene 9,10-oxide;9,10-dihydro-9,10-epoxyphenanthrene;phenanthro(9,10-b)oxirene, 1a,9b-dihydro- (9ci)","c12-c3c(C4C(c1cccc2)O4)cccc3","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides",1,"Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Epoxides and aziridines",1,"Epoxides and aziridines",1]
["590-96-5","methylazoxymethanol;(<i>z</i>)-form","C(O)N{-}N{+}(C)=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"N-methylol derivatives (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"N-methylol derivatives",1,"H-acceptor-path3-H-acceptor|N-methylol derivatives",1]
["592-62-1","methylazoxymethanol;methylazoxymethanol acetate;(<i>z</i>)-form, ac","C(C)(=O)OCN{-}N{+}(C)=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","G 46","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Specific Acetate Esters|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Specific Acetate Esters|SN2|SN2 >> Acylating agents|SN2 >> Acylating agents >> Specific Acetate Esters|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Specific Acetate Esters",1,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["594-72-9","1,1-dichloro-1-nitroethane;1-nitro-1,1-dichloroethane;ethane, 1,1-dichloro-1-nitro-;594-72-9","C(C)(Cl)(Cl)N(=O)=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0]
["599-91-7","propyl p-toluenesulfonate;benzenesulfonic acid, 4-methyl-, propyl ester;propyl toluene-4-sulphonate;p-toluenesulfonic acid, propyl ester;propyl 4-methylbenzenesulfonate","c1(S(=O)(=O)OCCC)ccc(C)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Sulfonates and Sulfates",1,"No alert found",0,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid (Genotox)|Benzenesulfonic ethers, methylation (Nongenotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Sulfonates and Sulfates",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid|H-acceptor-path3-H-acceptor",1]
["600-25-9","1-chloro-1-nitropropane","C(Cl)(CC)N(=O)=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"No alert found",0,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aliphatic halogens",1,"Aliphatic halogen",1]
["602-38-0","1,8-dinitronaphthalene;naphthalene, 1,8-dinitro-","c1(N(=O)=O)c2c(N(=O)=O)cccc2ccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"Nitro-aromatic",1]
["602-60-8","9-nitroanthracene;anthracene, 9-nitro-","c12c(c(N(=O)=O)c3c(cccc3)c1)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition|SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic|Polycyclic Aromatic Hydrocarbons",1,"Nitro-aromatic|Polycyclic Aromatic Hydrocarbons",1]
["603-02-1","2,4-dinitro-m-xylene;benzene, 1,3-dimethyl-2,4-dinitro-;1,3-dimethyl-2,4-dinitrobenzene;m-xylene, 2,4-dinitro-","c1(N(=O)=O)c(C)c(N(=O)=O)c(C)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0]
["603-36-1","triphenylantimony;triphenylstibine;stibine, triphenyl-;triphenylstibane","c1([Sb](c2ccccc2)c2ccccc2)ccccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0]
["605-71-0","1,5-dinitronaphthalene;naphthalene, 1,5-dinitro-;napththalene, 1,5-dinitro-","c1(N(=O)=O)c2c(c(N(=O)=O)ccc2)ccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"Nitro-aromatic",1]
["606-31-5","2,6-dinitrobenzaldehyde;benzaldehyde, 2,6-dinitro-","c1(N(=O)=O)c(C=O)c(N(=O)=O)ccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Simple aldehyde (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Nitro-aromatic|Simple aldehyde",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic|Simple aldehyde",1]
["606-35-9","2,4,6-trinitroanisole;benzene, 2-methoxy-1,3,5-trinitro-","c1(N(=O)=O)c(OC)c(N(=O)=O)cc(N(=O)=O)c1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Moderate Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["606-37-1","1,3-dinitronaphthalene;naphthalene, 1,3-dinitro-","c1(N(=O)=O)c2c(cc(N(=O)=O)c1)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"Nitro-aromatic",1]
["609-36-9","proline;(s)-pyrrolidine-2-carboxylic acid;dl-proline","C(=O)(O)C1CCCN1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["609-65-4","2-chlorobenzoyl chloride;benzoyl chloride, 2-chloro-;benzoyl chloride, o-chloro-;benzoyl chloride, o-chloro- (8ci)","C(=O)(Cl)c1c(Cl)cccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Direct acylation involving a leaving group|SN2 >> Direct acylation involving a leaving group >> Acyl Halides",1,"Acylation|Acylation >> Direct Addition of an Acyl Halide|Acylation >> Direct Addition of an Acyl Halide >> Acyl halide",1,"Acyl halides (Genotox)|Halogenated benzene (Nongenotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"SN2|SN2 >> Direct acylation involving a leaving group|SN2 >> Direct acylation involving a leaving group >> Acyl Halides",1,"Acyl halides",1,"Acyl halides",1]
["610-14-0","o-nitrobenzoyl chloride;2-nitrobenzoyl chloride;benzoyl chloride, 2-nitro-;benzoyl chloride, o-nitro-","C(=O)(Cl)c1c(N(=O)=O)cccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> Direct acylation involving a leaving group|SN2 >> Direct acylation involving a leaving group >> Acyl Halides",1,"Acylation|Acylation >> Direct Addition of an Acyl Halide|Acylation >> Direct Addition of an Acyl Halide >> Acyl halide|SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Acyl halides (Genotox)|Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> Direct acylation involving a leaving group|SN2 >> Direct acylation involving a leaving group >> Acyl Halides",1,"Acyl halides|Nitro-aromatic",1,"Acyl halides|H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["610-66-2","o-nitrophenyl acetonitrile;benzeneacetonitrile, 2-nitro-;2-nitrophenylacetonitrile;(o-nitrophenyl)acetonitrile;acetonitrile, (o-nitrophenyl)-;(2-nitrophenyl)acetonitrile","c1(N(=O)=O)c(CC#N)cccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Nitro-aromatic",1,"Nitro-aromatic",1]
["610-67-3","o-nitrophenetole;benzene, 1-ethoxy-2-nitro-;2-nitrophenetole;phenetole, o-nitro-;1-ethoxy-2-nitrobenzene","c1(OCC)c(N(=O)=O)cccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["611-09-6","n-nitroisatin;1h-indole-2,3-dione, 5-nitro-;2,3-dihydro-5-nitroindole-2,3-dione;5-nitro-1h-indole-2,3-dione;1h-indole-2,3-dione, 5-nitro- (9ci)","C1(=O)C(=O)c2c(ccc(N(=O)=O)c2)N1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["611-35-8","4-chloroquinoline","c1(Cl)c2c(cccc2)ncc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0]
["612-23-7","o-nitrobenzyl chloride;2-nitro-benzylchlorid;1-(chloromethyl)-2-nitrobenzene;benzene, 1-(chloromethyl)-2-nitro- (9ci)","c1(N(=O)=O)c(CCl)cccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality, Conflict","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups",{"$f":"IF(W643=\"No alert found\",0,1)","v":1},"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro|SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides",1,"Aliphatic halogens (Genotox)|Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",{"$f":"IF(AA643=\"No alert found\",0,1)","v":1},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups",{"$f":"IF(AC643=\"No alert found\",0,1)","v":1},"Aliphatic halogens|Nitro-aromatic",{"$f":"IF(AE643=\"No alert found\",0,1)","v":1},"Aliphatic halogen|Nitro-aromatic",{"$f":"IF(AG643=\"No alert found\",0,1)","v":1}]
["612-57-7","6-chloroquinoline;quinoline, 6-chloro-","c12c(cc(Cl)cc1)cccn2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"No alert found",0]
["612-58-8","3-methylquinoline;3-methyl-quinoline;quinoline, 3-methyl-","c12c(cc(C)cn1)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0]
["612-60-2","7-methylquinoline;7-methyl-quinoline;quinoline, 7-methyl-","c12c(cc(C)cc1)nccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0]
["612-83-9","3,3'-dichlorobenzidine dihydrochloride","c1(-c2cc(Cl)c(N)cc2)cc(Cl)c(N)cc1_Cl{-}_Cl{-}_R_R","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"No alert found|SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"Primary aromatic amine, hydroxyl amine and its derived esters",1]
["615-05-4","2,4-diaminoanisole","c1(OC)c(N)cc(N)cc1_O=S(=O)(O)O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"No alert found|SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["615-50-9","2-methyl-p-phenylenediamine;toluene-2,5-diamine sulfate;2,5-diaminotoluene sulphate;2-methyl-p-phenylenediamine sulfate;1,4-benzenediamine, 2-methyl-, sulfate (1:1);2-methylbenzene-1,4-diamine sulfate","c1(N)c(C)cc(N)cc1_O=S(=O)(O)O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"No alert found|SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"No alert found",0,"No alert found|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["616-23-9","2,3-dichloro-1-propanol;2,3-dichloropropanol;dichloropropanol, 2,3-;2,3-dichloropropan-1-ol;1-propanol, 2,3-dichloro-","C(Cl)(CO)CCl","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Elimination (E2)|Elimination (E2) >> E2 elimination reaction with epoxide formation|Elimination (E2) >> E2 elimination reaction with epoxide formation >> Haloalcohols|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Haloalcohols|SN2|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation >> Vicinal Dihaloalkanes",1,"SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> 1,2-Dihaloalkanes",1,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Elimination (E2)|Elimination (E2) >> E2 elimination reaction with epoxide formation|Elimination (E2) >> E2 elimination reaction with epoxide formation >> Haloalcohols|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Haloalcohols|SN2|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation >> Vicinal Dihaloalkanes",1,"Aliphatic halogens",1,"Aliphatic halogen",1]
["618-46-2","4-chlorobenzoyl chloride;m-chlorobenzoylchloride;3-chlorobenzoyl chloride;benzoyl chloride, 3-chloro-;benzoyl chloride, m-chloro-;benzoyl chloride, m-chloro- (8ci)","C(=O)(Cl)c1cc(Cl)ccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Direct acylation involving a leaving group|SN2 >> Direct acylation involving a leaving group >> Acyl Halides",1,"Acylation|Acylation >> Direct Addition of an Acyl Halide|Acylation >> Direct Addition of an Acyl Halide >> Acyl halide",1,"Acyl halides (Genotox)|Halogenated benzene (Nongenotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"SN2|SN2 >> Direct acylation involving a leaving group|SN2 >> Direct acylation involving a leaving group >> Acyl Halides",1,"Acyl halides",1,"Acyl halides",1]
["619-23-8","m-nitrobenzyl chloride;benzene, 1-(chloromethyl)-3-nitro-;1-(chloromethyl)-3-nitrobenzene","c1(N(=O)=O)cc(CCl)ccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality, Conflict","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro|SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides",1,"Aliphatic halogens (Genotox)|Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups",1,"Aliphatic halogens|Nitro-aromatic",1,"Aliphatic halogen|Nitro-aromatic",1]
["619-89-6","4-nitrocinnamic acid;2-propenoic acid, 3-(4-nitrophenyl)-;p-nitro-cinnamic acid;p-nitrocinnamic acid;3-(4-nitrophenyl)acrylic acid","C(=O)(O)C=Cc1ccc(N(=O)=O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100(1,8-DNP6)","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["619-90-9","p-nitrobenzyl acetate;acetic acid, nitrobenzyl ester;benzenemethanol, 4-nitro-, acetate (ester);4-nitrobenzyl acetate","c1(N(=O)=O)ccc(COC(C)=O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Specific Acetate Esters|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Specific Acetate Esters|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> Acylating agents|SN2 >> Acylating agents >> Specific Acetate Esters|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Specific Acetate Esters",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Specific Acetate Esters|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Specific Acetate Esters|SN2|SN2 >> Acylating agents|SN2 >> Acylating agents >> Specific Acetate Esters|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Specific Acetate Esters",1,"Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["620-89-3","4-methyl-n-(4-nitrophenyl)benzenamine;benzenamine, 4-methyl-n-(4-nitrophenyl)-","c1(Nc2ccc(N(=O)=O)cc2)ccc(C)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Nitro-aromatic",1,"Nitro-aromatic",1]
["621-95-4","4,4'-ethylenebis(aniline);benzenamine, 4,4'-(1,2-ethanediyl)bis-;4,4'-ethylenedianiline;4,4'-ethane-1,2-diyldianiline;alpha,alpha'-bi-p-toluidine (8ci)","c1(N)ccc(CCc2ccc(N)cc2)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"Primary aromatic amine, hydroxyl amine and its derived esters",1]
["622-79-7","benzyl azide;benzene, (azidomethyl)- (9ci)","c1(CN=N#N)ccccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes",1,"Azide and triazene groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Azide and triazene groups",1,"Azide and triazene groups",1]
["623-17-6","furfuryl acetate;2-furanmethanol, acetate;furfural acetate;furfuryl alcohol, acetate;furan-2-ylmethyl acetate;2-furanmethanol, 2-acetate","C1(COC(C)=O)=CC=CO1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Specific Acetate Esters|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Specific Acetate Esters|SN2|SN2 >> Acylating agents|SN2 >> Acylating agents >> Specific Acetate Esters|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Specific Acetate Esters",1,"Michael addition|Michael addition >> P450 Mediated Activation of Heterocyclic Ring Systems|Michael addition >> P450 Mediated Activation of Heterocyclic Ring Systems >> Furans",1,"No alert found",0,"Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Specific Acetate Esters|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Specific Acetate Esters|SN2|SN2 >> Acylating agents|SN2 >> Acylating agents >> Specific Acetate Esters|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Specific Acetate Esters",1,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["632-21-3","1,1,3,3-tetrachloropropanone;2-propanone, 1,1,3,3-tetrachloro-;1,1,3,3-tetrachloroacetone;1,1,3,3-tetrachloropropan-2-one;1,1,3,3-tetrachloro-2-propanone","C(=O)(C(Cl)Cl)C(Cl)Cl","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups",1,"No alert found",0,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups",1,"Aliphatic halogens",1,"Aliphatic halogen",1]
["633-03-4","brilliant green","c1(C{+}(c2ccc(N(CC)CC)cc2)(c2ccc(N(CC)CC)cc2).O{-}S(=O)(=O)O)ccccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["635-27-8","5-chloroquinoline","c1(Cl)c2c(ccc1)nccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Moderate Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"No alert found",0]
["641-90-7","2-hydroxyemodin","c12C(=O)c3c(C(=O)c1c(O)c(O)c(O)c2)c(O)cc(C)c3","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones",1,"Quinones (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones",1,"Quinones",1,"H-acceptor-path3-H-acceptor|Quinones",1]
["645-45-4","3-phenylpropionyl chloride;benzenepropanoyl chloride;3-phenylpropanoyl chloride;hydrocinnamoyl chloride","c1(CCC(=O)Cl)ccccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Acylation|Acylation >> Direct Addition of an Acyl Halide|Acylation >> Direct Addition of an Acyl Halide >> Acyl halide|Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes",1,"Acyl halides (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Acyl halides",1,"Acyl halides",1]
["655-86-7","2,3-diaminophenazine","c1(N)c(N)c2c(cc1)nc1c(cccc1)n2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition|SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons|Primary aromatic amine,hydroxyl amine and its derived esters",1,"H-acceptor-path3-H-acceptor|Heterocyclic Polycyclic Aromatic Hydrocarbons|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["668-17-7","pyrromycin;pyrromycin (8ci)","c12C(=O)c3c(C(=O)c1c(O)c1c(C(C(=O)OC)C(O)(CC)CC1OC1CC(N(C)C)C(O)C(C)O1)c2)c(O)ccc3O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones|SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"Quinones (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones",1,"Quinones",1,"H-acceptor-path3-H-acceptor|Quinones",1]
["683-51-2","2-chloroacrolein","C(=O)=C(C)Cl","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Moderate Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0]
["689-98-5","2-chloroethylamine;2-chloro-ethylamine;dr9602185;ethanamine, 2-chloro-","C(Cl)CN","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Moderate Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Nitrogen Mustards",1,"SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> Mustards",1,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0]
["698-63-5","5-nitro-2-furaldehyde;5-nitro-2-furaldehyde*;5-nitrofuran-2-carbaldehyde;5-nitro-2-furancarboxaldehyde;5-furancarboxaldehyde, 5-nitro- (9ci)","C1(C=O)=CC=C(N(=O)=O)O1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100(1,8-DNP6)","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Unsaturated heterocyclic nitro",1,"Nitro-aromatic (Genotox)|Simple aldehyde (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic|Simple aldehyde",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic|Simple aldehyde",1]
["700-86-7","3-amino-6-chloro-2,1-benzisothiazole","C12C(=C(N)SN=1)C=CC(Cl)=C2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary (unsaturated) heterocyclic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["710-25-8","3-(5-nitro-2-furyl)acrylamide;2-propenamide, 3-(5-nitro-2-furanyl)-","C(N)(=O)C=CC1=CC=C(N(=O)=O)O1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Moderate Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated amides|SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Unsaturated heterocyclic nitro",1,"alpha,beta-unsaturated carbonyls (Genotox)|Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"alpha,beta-unsaturated carbonyls|Nitro-aromatic",1,"alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["716-53-0","9-chloroanthracene;anthracene, 9-chloro-","c12c(c(Cl)c3c(cccc3)c1)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition",1,"Halogenated benzene (Nongenotox)|Halogenated PAH (naphthalenes, biphenyls, diphenyls) (Nongenotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"No alert found",0,"Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1]
["736-31-2","4,4'-dinitrostilbene;trans-4,4'-dinitrostilbene;1,1'-(e)-ethene-1,2-diylbis(4-nitrobenzene);benzene, 1,1'-(1,2-ethenediyl)bis(4-nitro-, (e)-","c1(C=Cc2ccc(N(=O)=O)cc2)ccc(N(=O)=O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"Nitro-aromatic",1]
["746-53-2","2,4,5,7-tetranitrofluorenone;9h-fluoren-9-one, 2,4,5,7-tetranitro-;2,4,5,7-tetranitrofluoren-9-one;2,4,5,7-tetranitro-9h-fluoren-9-one;fluoren-9-one, 2,4,5,7-tetranitro- (8ci)","c12C(=O)c3c(c(N(=O)=O)cc(N(=O)=O)c3)-c1c(N(=O)=O)cc(N(=O)=O)c2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic|Polycyclic Aromatic Hydrocarbons",1,"Nitro-aromatic|Polycyclic Aromatic Hydrocarbons",1]
["765-87-7","1,2-cyclohexanedione;cyclohexane-1,2-dione","C1(=O)C(=O)CCCC1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Dicarbonyl Compounds",1,"Schiff base formers|Schiff base formers >> Direct Acting Schiff Base Formers|Schiff base formers >> Direct Acting Schiff Base Formers >> Alpha-beta-dicarbonyl",1,"No alert found",0,"Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Dicarbonyl Compounds",1,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["766-94-9","phenyl vinyl ether;benzene, (ethenyloxy)-","c1(OC=C)ccccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Phenoxy polarised alkenes",1,"alpha,beta-unsaturated aliphatic alkoxy group (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"alpha,beta-unsaturated aliphatic alkoxy group",1,"alpha,beta-unsaturated aliphatic alkoxy group",1]
["771-29-9","1,2,3,4-tetrahydro-1-naphthalenyl hydroperoxide;1,2,3,4-tetrahydro-1-naphthyl hydroperoxide;1,2,3,4-tetrahydronaphthalen-1-yl hydroperoxide;1,2,3,4-tetrahydro-1-naphthyl-hydroperoxide","c12c(C(OO)CCC1)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Organic Peroxy Compounds",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes",1,"No alert found",0,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Organic Peroxy Compounds",1,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["775-11-1","n-benzyl-n-nitrosourea","c1(CN(C(N)=O)N=O)ccccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes|SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2",1,"Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"Alkyl and aryl N-nitroso groups",1,"Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor",1]
["778-28-9","butyl 4-methylbenzenesulfonate;butyl toluene-4-sulphonate;benzenesulfonic acid, 4-methyl-, butyl ester","c1(S(=O)(=O)OCCCC)ccc(C)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Sulfonates and Sulfates",1,"No alert found",0,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid (Genotox)|Benzenesulfonic ethers, methylation (Nongenotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Sulfonates and Sulfates",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid|H-acceptor-path3-H-acceptor",1]
["779-03-3","9-aminoanthracene;9-anthracenamine","c12c(c(N)c3c(cccc3)c1)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition",1,"Polycyclic Aromatic Hydrocarbons (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Polycyclic Aromatic Hydrocarbons|Primary aromatic amine,hydroxyl amine and its derived esters",1,"Polycyclic Aromatic Hydrocarbons|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["781-43-1","9,10-dimethylanthracene;anthracene, 9,10-dimethyl-","c1(C)c2c(c(C)c3c1cccc3)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition",1,"Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1]
["789-07-1","2-nitropyrene;pyrene, 2-nitro-","c12c3c4c(cc(N(=O)=O)cc4ccc3ccc1)cc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Moderate Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Nitro-aromatic|Polycyclic Aromatic Hydrocarbons",1,"Nitro-aromatic|Polycyclic Aromatic Hydrocarbons",1]
["790-60-3","benz[a]anthracene 5,6-oxide;benz(3,4)anthra(1,2-b)oxirene","c12c(c3c(c4c1cc1c(cccc1)c4)cccc3)O2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition|SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1",1,"Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1]
["817-99-2","n-diazoacetylglycine amide;acetamide, n-(2-amino-2-oxoethyl)-2-diazo- (9ci)","C(=O)(C=N{+}=N{-})NCC(N)=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Carbenium Ion Formation|SN2 >> Carbenium Ion Formation >> Diazoalkanes",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Diazoalkanes",1,"Aliphatic azo and azoxy (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Carbenium Ion Formation|SN2 >> Carbenium Ion Formation >> Diazoalkanes",1,"Aliphatic azo and azoxy",1,"Aliphatic azo and azoxy|H-acceptor-path3-H-acceptor",1]
["820-75-7","n-diazoacetylglycine hydrazide;glycine, n-(diazoacetyl)-, hydrazide","C(=O)(C=N{+}=N{-})NCC(=O)NN","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Nucleophilic addition|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization >> Hydrazine Derivatives|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Hydrazine Derivatives|SN2|SN2 >> Carbenium Ion Formation|SN2 >> Carbenium Ion Formation >> Diazoalkanes",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Diazoalkanes|SN1 >> Carbenium Ion Formation >> Hydrazine",1,"Aliphatic azo and azoxy (Genotox)|Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Nucleophilic addition|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization >> Hydrazine Derivatives|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Hydrazine Derivatives|SN2|SN2 >> Carbenium Ion Formation|SN2 >> Carbenium Ion Formation >> Diazoalkanes",1,"Aliphatic azo and azoxy|Hydrazine",1,"Aliphatic azo and azoxy|H-acceptor-path3-H-acceptor|Hydrazine",1]
["830-07-9","2-nitro-5-(2-nitrovinyl)furan;1-(5-no2-2-furyl)-2-(nitro)ethylene;furan, 2-nitro-5-(2-nitroethenyl)-","C1(C=CN(=O)=O)=CC=C(N(=O)=O)O1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Moderate Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Unsaturated heterocyclic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["834-24-2","4-aminostilbene","c1(C=Cc2ccc(N)cc2)ccccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"Primary aromatic amine, hydroxyl amine and its derived esters",1]
["836-37-3","alpha-cyano-5-nitro-2-furanacrylic acid, methyl ester;2-furanacrylic acid, alpha-cyano-5-nitro-, methyl ester","C(=O)(C(C#N)=CC1=CC=C(N(=O)=O)O1)OC","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated esters|SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Unsaturated heterocyclic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["843-23-2","trans-n-hydroxy-4-acetylaminostilbene;acetohydroxamic acid, trans-n-(p-styrylphenyl)-","c1(C=Cc2ccc(N(O)C(C)=O)cc2)ccccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> N-hydroxylamines",1,"No alert found",0,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["874-60-2","4-methylbenzoyl chloride;benzoyl chloride, 4-methyl-;p-toluoyl chloride","C(=O)(Cl)c1ccc(C)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Direct acylation involving a leaving group|SN2 >> Direct acylation involving a leaving group >> Acyl Halides",1,"Acylation|Acylation >> Direct Addition of an Acyl Halide|Acylation >> Direct Addition of an Acyl Halide >> Acyl halide",1,"Acyl halides (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct acylation involving a leaving group|SN2 >> Direct acylation involving a leaving group >> Acyl Halides",1,"Acyl halides",1,"Acyl halides",1]
["880-93-3","1-methyl-4-nitronaphthalene;naphthalene, 1-methyl-4-nitro-","c1(N(=O)=O)c2c(c(C)cc1)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Moderate Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"Nitro-aromatic",1]
["885-11-0","4-nitrosoantipyrine;2,3-dimethyl-4-nitroso-1-phenyl-3-pyrazolin-5-one;1,5-dimethyl-4-nitroso-2-phenyl-1,2-dihydro-3h-pyrazol-3-one;3h-pyrazol-3-one, 1,2-dihydro-1,5-dimethyl-4-nitroso-2-phenyl- (9ci)","C1(=O)C(N=O)=C(C)N(C)N1c1ccccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Unsaturated heterocyclic nitroso",1,"alpha,beta-unsaturated carbonyls (Genotox)|Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"alpha,beta-unsaturated carbonyls|Hydrazine",1,"alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor|Hydrazine",1]
["922-65-6","1,4-pentadiene-3-ol;1,4-pentadien-3-ol;penta-1,4-dien-3-ol","C(=C)C(O)C=C","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0]
["923-32-0","cystine;dl-cystine;l-cystine;cystine dl-form;d,l-cystine","C(=O)(O)C(N)CSSCC(N)C(=O)O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["932-97-8","p-diazoquinone","C1(=O)C=CC(=N{+}=N{-})C=C1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinoneimine Derivatives|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Quinoneimine Derivatives|SN2|SN2 >> Carbenium Ion Formation|SN2 >> Carbenium Ion Formation >> Diazoalkanes",1,"Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated ketones|SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Diazoalkanes",1,"Aliphatic azo and azoxy (Genotox)|alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinoneimine Derivatives|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Quinoneimine Derivatives|SN2|SN2 >> Carbenium Ion Formation|SN2 >> Carbenium Ion Formation >> Diazoalkanes",1,"Aliphatic azo and azoxy|alpha,beta-unsaturated carbonyls",1,"Aliphatic azo and azoxy|alpha,beta-unsaturated carbonyls",1]
["933-88-0","2-methylbenzoyl chloride;benzoyl chloride, 2-methyl-;o-toluoyl chloride","C(=O)(Cl)c1c(C)cccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Direct acylation involving a leaving group|SN2 >> Direct acylation involving a leaving group >> Acyl Halides",1,"Acylation|Acylation >> Direct Addition of an Acyl Halide|Acylation >> Direct Addition of an Acyl Halide >> Acyl halide",1,"Acyl halides (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct acylation involving a leaving group|SN2 >> Direct acylation involving a leaving group >> Acyl Halides",1,"Acyl halides",1,"Acyl halides",1]
["940-14-7","4-nitrophenyl vinyl ether;benzene, 1-(ethenyloxy)-4-nitro-","c1(OC=C)ccc(N(=O)=O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro|SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Phenoxy polarised alkenes",1,"alpha,beta-unsaturated aliphatic alkoxy group (Genotox)|Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"alpha,beta-unsaturated aliphatic alkoxy group|Nitro-aromatic",1,"alpha,beta-unsaturated aliphatic alkoxy group|Nitro-aromatic",1]
["947-73-9","9-aminophenanthrene;9-phenanthrenamine;phenanthren-9-amine","c1(N)c2c(c3c(cccc3)c1)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Polycyclic Aromatic Hydrocarbons (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons|Primary aromatic amine,hydroxyl amine and its derived esters",1,"Polycyclic Aromatic Hydrocarbons|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["952-23-8","proflavine hydrochloride","c12c(cc3c(cc(N)cc3)n1)ccc(N)c2_c12c(cc3c(cc(N)cc3)n1)ccc(N)c2_Cl{-}_Cl{-}_O_R_R","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition|No alert found|SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons|Primary aromatic amine,hydroxyl amine and its derived esters",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["952-97-6","4-nitrodiphenyl thioether;benzene, 1-nitro-4-(phenylthio)-;4-nitrophenyl phenyl sulphide;1-nitro-4-(phenylsulfanyl)benzene;benzene, 1-nitro-4-(phenylthio)-  (9ci)","c1(Sc2ccccc2)ccc(N(=O)=O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"Nitro-aromatic",1]
["957-52-8","3-chloromethylfluoranthene;fluoranthene, 3-(chloromethyl)-","c1(CCl)c2c3c(c4c(c3ccc2)cccc4)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups",1,"SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides",1,"Aliphatic halogens (Genotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups",1,"Aliphatic halogens|Polycyclic Aromatic Hydrocarbons",1,"Aliphatic halogen|Polycyclic Aromatic Hydrocarbons",1]
["962-32-3","5,6-dihydroxybenz[a]anthracene 5,6-oxide;benz(a)anthracene, 5,6-epoxy-5,6-dihydro-;benz(3,4)anthra(1,2-b)oxirene, 1a,11b-dihydro- (9ci)","c12-c3c(C4C(c1cc1c(cccc1)c2)O4)cccc3","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides",1,"Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Epoxides and aziridines",1,"Epoxides and aziridines",1]
["965-52-6","nifuroxazide;4-hydroxy-n'-[(e)-(5-nitrofuran-2-yl)methylidene]benzohydrazide;benzoic acid, p-hydroxy-, (5-nitrofurfurylidene)hydrazide","C(=O)(c1ccc(O)cc1)NN=CC1=CC=C(N(=O)=O)O1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Unsaturated heterocyclic nitro",1,"Hydrazine (Genotox)|Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Hydrazine|Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Hydrazine|Nitro-aromatic",1]
["999-29-1","n-diazoacetylglycine ethyl ester;glycine, n-(diazoacetyl)-, ethyl ester","C(=O)(C=N{+}=N{-})NCC(=O)OCC","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Carbenium Ion Formation|SN2 >> Carbenium Ion Formation >> Diazoalkanes",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Diazoalkanes",1,"Aliphatic azo and azoxy (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Carbenium Ion Formation|SN2 >> Carbenium Ion Formation >> Diazoalkanes",1,"Aliphatic azo and azoxy",1,"Aliphatic azo and azoxy|H-acceptor-path3-H-acceptor",1]
["1064-48-8","c.i. acid black 1","C1(S(=O)(=O)O{-}.[Na]{+})C(=NNc2ccccc2)C(=O)c2c(N)c(N=Nc3ccc(N(=O)=O)cc3)c(S(=O)(=O)O{-}.[Na]{+})cc2C=1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Radical >> Radical mechanism by ROS formation >> Specific Imine and Thione Derivatives|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> Diazonium ion formation|SN2 >> Diazonium ion formation >> Specific Imine and Thione Derivatives",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Aromatic diazo (Genotox)|Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Radical >> Radical mechanism by ROS formation >> Specific Imine and Thione Derivatives|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> Diazonium ion formation|SN2 >> Diazonium ion formation >> Specific Imine and Thione Derivatives",1,"Aromatic diazo|Hydrazine",1,"Aromatic diazo|H-acceptor-path3-H-acceptor|Hydrazine|Nitro-aromatic",1]
["1070-13-9","2-propylacrolein;2-methylenevaleraldehyde;pentanal, 2-methylene-;2-methylidenepentanal;pentanal, 2-methylene- (9ci)","C(=C)(C=O)CCC","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Michael addition|Michael addition >> alpha, beta-unsaturated carabonyl compounds|Michael addition >> alpha, beta-unsaturated carabonyl compounds >> Alpha, Beta-Unsaturated Aldehydes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Alpha, Beta-Unsaturated Aldehydes",1,"Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated aldehydes",1,"alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Michael addition|Michael addition >> alpha, beta-unsaturated carabonyl compounds|Michael addition >> alpha, beta-unsaturated carabonyl compounds >> Alpha, Beta-Unsaturated Aldehydes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Alpha, Beta-Unsaturated Aldehydes",1,"alpha,beta-unsaturated carbonyls",1,"alpha,beta-unsaturated carbonyls",1]
["1086-00-6","1-chloromethylpyrene;pyrene, 1-(chloromethyl)-","c12c3c4c(c(CCl)ccc4ccc3ccc1)cc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Moderate Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides",1,"Aliphatic halogens (Genotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Aliphatic halogens|Polycyclic Aromatic Hydrocarbons",1,"Aliphatic halogen|Polycyclic Aromatic Hydrocarbons",1]
["1113-41-3","l-penicillamine;penicillamine l-form;l-(+)-?-mercaptovaline;3-sulfanyl-l-valine","C(=O)(O)C(N)C(C)(C)S","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Generation of reactive oxygen species|Radical >> Generation of reactive oxygen species >> Thiols",{"$f":"IF(W707=\"No alert found\",0,1)","v":1},"No alert found",0,"No alert found",{"$f":"IF(AA707=\"No alert found\",0,1)","v":0},"Radical|Radical >> Generation of reactive oxygen species|Radical >> Generation of reactive oxygen species >> Thiols",{"$f":"IF(AC707=\"No alert found\",0,1)","v":1},"No alert found",{"$f":"IF(AE707=\"No alert found\",0,1)","v":0},"H-acceptor-path3-H-acceptor",{"$f":"IF(AG707=\"No alert found\",0,1)","v":1}]
["1124-33-0","4-nitropyridine 1-oxide;4-nitropyridine-1-oxide;pyridine, 4-nitro-, 1-oxide;1124-33-0","c1(N(=O)=O)ccn(=O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Aromatic ring N-oxide (Genotox)|Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aromatic ring N-oxide|Nitro-aromatic",1,"Aromatic ring N-oxide|Nitro-aromatic",1]
["1126-76-7","phenylbutylene oxide;benzene, (3,4-epoxybutyl)-","c1(CCC2CO2)ccccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes|SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides",1,"Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Epoxides and aziridines",1,"Epoxides and aziridines",1]
["1135-14-4","4-aminodiphenyl thioether;benzenamine, 4-(phenylthio)-;aniline, p-(phenylthio)- (6ci,7ci,8ci)","c1(Sc2ccccc2)ccc(N)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"Primary aromatic amine, hydroxyl amine and its derived esters",1]
["1146-04-9","illudin m;spiro(cyclopropane-1,5'-(5h)inden)-7'(6'h)-one, 2',3'-dihydro-3'-beta,6'-alpha-dihydroxy-2',24',6'-tetramethyl-","C12C(=O)C(C)(O)C3(C(C)=C1C(O)C(C)(C)C=2)CC3","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated ketones",1,"alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"alpha,beta-unsaturated carbonyls",1,"alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor",1]
["1147-55-3","5-hydroxy-2-(acetylamino)fluorene;acetamide, n-(5-hydroxy-9h-fluoren-2-yl)-","c12-c3c(cc(NC(C)=O)cc3)Cc1cccc2O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Aromatic N-acyl amine (Genotox)|o-phenylphenol (Nongenotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"No alert found",0,"Aromatic N-acyl amine|Polycyclic Aromatic Hydrocarbons",1,"Aromatic N-acyl amine|H-acceptor-path3-H-acceptor|Polycyclic Aromatic Hydrocarbons",1]
["1148-79-4","2,2'2''-tripyridyl;[2,2';6',2'']terpyridine;2,2':6',2''-terpyridine;2,6-di(2-pyridyl)pyridine;2,2’:6’,2’’-terpyridine","c1(-c2cccc(-c3ccccn3)n2)ccccn1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["1149-99-1","illudin s;spiro(cyclopropane-1,5'-(5h)inden)-7'(6'h)-one, 2',3'-dihydro-3',6'-dihydroxy-2'-(hydroxymethyl)-2',4',6'-trimethyl-, (2's-(2'alpha,3'beta,6'alpha))- (9ci)","C12C(=O)C(C)(O)C3(C(C)=C1C(O)C(C)(CO)C=2)CC3","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated ketones",1,"alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"alpha,beta-unsaturated carbonyls",1,"alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor",1]
["1155-38-0","7-methylbenz[a]anthracene 5,6-oxide;benz(a)anthracene, 5,6-epoxy-5,6-dihydro-7-methyl-","c12-c3c(c(C)c4c(cccc4)c3)C3C(c1cccc2)O3","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides",1,"Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Epoxides and aziridines",1,"Epoxides and aziridines",1]
["1169-60-4","methyl aristolochate;phenanthro(3,4-d)-1,3-dioxole-5-carboxylic acid, 8-methoxy-6-nitro-, methyl ester","C(=O)(c1c2c(c3c(c(OC)ccc3)cc2N(=O)=O)c2c(c1)OCO2)OC","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"1,3-Benzodioxoles (Nongenotox)|Nitro-aromatic (Genotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Nitro-aromatic|Polycyclic Aromatic Hydrocarbons",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic|Polycyclic Aromatic Hydrocarbons",1]
["1193-54-0","3,4-dichloro-1h-pyrrole-2,5-dione;1h-pyrrole-2,5-dione, 3,4-dichloro-","C1(=O)C(Cl)=C(Cl)C(=O)N1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives",1,"No alert found",0,"alpha,beta-unsaturated carbonyls (Genotox)|Dicarboximide (Nongenotox)|Structural alert for nongenotoxic carcinogenicity|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives",1,"alpha,beta-unsaturated carbonyls",1,"alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor",1]
["1197-55-3","p-aminophenylacetic acid;(4-amino-phenyl)-acetic acid;benzeneacetic acid, 4-amino-;4-aminophenylacetic acid;(4-aminophenyl)acetic acid;4-aminobenzeneacetic acid;acetic acid, (p-aminophenyl)-","c1(N)ccc(CC(=O)O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["1199-18-4","6-hydroxydopamine","c1(O)c(O)cc(O)c(CCN)c1_Cl{-}_R","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 102","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Alkyl phenols|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones|No alert found",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["1204-41-7","4-amino-2'-methylbiphenyl;4-biphenylamine, 2'-methyl-","c1(-c2c(C)cccc2)ccc(N)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"Primary aromatic amine, hydroxyl amine and its derived esters",1]
["1214-32-0","2-amino-7-nitrofluorene;9h-fluoren-2-amine, 7-nitro-;9h-fluoren-2-amine, 7-nitro- (9ci)","c12-c3c(cc(N(=O)=O)cc3)Cc1cc(N)cc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Moderate Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Nitro-aromatic (Genotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic|Polycyclic Aromatic Hydrocarbons|Primary aromatic amine,hydroxyl amine and its derived esters",1,"Nitro-aromatic|Polycyclic Aromatic Hydrocarbons|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["1332-76-9","ammonium hexachloroplatinate (iv)",null,"Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","(N/A)",1,"(N/A)",1,"(N/A)",1,"(N/A)",1,"(N/A)",1,"(N/A)",1]
["1333-82-0","chromium oxide (cro3);chromium trioxide, sintered;chromium trioxide;chromium oxide;chromium oxide, (cro3);trioxochromium","O=[Cr](=O)=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 102","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Metals, oxidative stress (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"No alert found",0]
["1390-65-4","carmine","c12C(=O)c3c(C(=O)c1c(C)c(C(=O)O)c(O)c2)c(O)c(C1C(O)C(O)C(O)C(CO)O1)c(O)c3O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Moderate Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones",1,"No alert found",0,"Quinones (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones",1,"Quinones",1,"H-acceptor-path3-H-acceptor|Quinones",1]
["1456-28-6","2,6-dimethyl-n-nitrosomorpholine;nitroso-2,6-dimethylmorpholine;n-nitroso-2,6-dimethylmorpholine;2,6-dimethyl-4-nitrosomorpholine;morpholine, 2,6-dimethyl-4-nitroso- (8ci)(9ci)","C1(C)CN(N=O)CC(C)O1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2",1,"Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"Alkyl and aryl N-nitroso groups",1,"Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor",1]
["1461-22-9","tributyltin chloride;tri-n-butyltin chloride;tributylchlorostannane;stannane, tributylchloro-;tributyltin chloridestannane, tributylchloro-","C(CCC)[Sn](Cl)(CCCC)CCCC","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0]
["1466-88-2","o-nitrocinnamaldehyde;2-nitrocinnamaldehyde;(2e)-3-(2-nitrophenyl)prop-2-enal","c1(N(=O)=O)c(C=CC=O)cccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Michael addition|Michael addition >> alpha, beta-unsaturated carabonyl compounds|Michael addition >> alpha, beta-unsaturated carabonyl compounds >> Alpha, Beta-Unsaturated Aldehydes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Alpha, Beta-Unsaturated Aldehydes|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Michael addition|Michael addition >> alpha, beta-unsaturated carabonyl compounds|Michael addition >> alpha, beta-unsaturated carabonyl compounds >> Alpha, Beta-Unsaturated Aldehydes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Alpha, Beta-Unsaturated Aldehydes",1,"Nitro-aromatic",1,"Nitro-aromatic",1]
["1476-11-5","cis-1,4-dichloro-2-butene;1,4-dichloro-2-butene;1,4-dichloro-2-butene(cis);2-butene, 1,4-dichloro-, (z)-;cis-1,4-dichlorobut-2-ene;2-butene, 1,4-dichloro-, (2z)-;1,4-dichloro-cis-2-butene;(2z)-1,4-dichlorobut-2-ene","C(=CCCl)CCl","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups",1,"SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides",1,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups",1,"Aliphatic halogens",1,"Aliphatic halogen",1]
["1488-21-7","syn-indan-3a,7a-oxide;3a,7a-epoxy-1h-indene, 2,3-dihydro-","C123C(C=CC=C1)(CCC2)O3","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"No alert found",0,"Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Epoxides and aziridines",1,"Epoxides and aziridines",1]
["1488-25-1","benzene oxide","C1C2C(C=CC=1)O2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides",1,"Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Epoxides and aziridines",1,"Epoxides and aziridines",1]
["1516-21-8","p-methoxynitrosobenzene","c1(OC)ccc(N=O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitroso",1,"Aromatic nitroso group (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"Aromatic nitroso group",1,"Aromatic nitroso group  |H-acceptor-path3-H-acceptor",1]
["1516-71-8","2-azido-3-methylnaphtho[1,2-d]imidazole;2-azido-3-methylnaphtho(1,2-d)imidazole","c12c(c3c(cccc3)cc1)N=C(N=N#N)N2C","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Azide and triazene groups (Genotox)|Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Imidazole, benzimidazole (Nongenotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"No alert found",0,"Azide and triazene groups|Heterocyclic Polycyclic Aromatic Hydrocarbons",1,"Azide and triazene groups|H-acceptor-path3-H-acceptor|Heterocyclic Polycyclic Aromatic Hydrocarbons",1]
["1516-73-0","2-azido-1-methylbenzimidazole","c12c(cccc1)N(C)C(N=N#N)=N2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Azide and triazene groups (Genotox)|Imidazole, benzimidazole (Nongenotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"No alert found",0,"Azide and triazene groups",1,"Azide and triazene groups|H-acceptor-path3-H-acceptor",1]
["1516-74-1","2-azidobenzimidazole;1h-benzimidazole, 2-azido-;2-azido-1h-benzimidazole","c12c(cccc1)N=C(N=N#N)N2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Azide and triazene groups (Genotox)|Imidazole, benzimidazole (Nongenotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"No alert found",0,"Azide and triazene groups",1,"Azide and triazene groups|H-acceptor-path3-H-acceptor",1]
["1517-05-1","2-azidoethanol","C(O)CN=N#N","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Azide and triazene groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Azide and triazene groups",1,"Azide and triazene groups|H-acceptor-path3-H-acceptor",1]
["1528-74-1","4,4'-dinitrobiphenyl;1,1'-biphenyl, 4,4'-dinitro-","c1(-c2ccc(N(=O)=O)cc2)ccc(N(=O)=O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"Nitro-aromatic",1]
["1576-35-8","p-toluenesulfonyl hydrazide;4-toluenesulfonyl hydrazide;toluene-4-sulphonohydrazide;benzenesulfonic acid, 4-methyl-, hydrazide;4-methylbenzenesulfonohydrazide;1576-35-8","c1(S(=O)(=O)NN)ccc(C)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Nucleophilic addition|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization >> Hydrazine Derivatives|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Hydrazine Derivatives",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Hydrazine",1,"Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Nucleophilic addition|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization >> Hydrazine Derivatives|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Hydrazine Derivatives",1,"Hydrazine",1,"H-acceptor-path3-H-acceptor|Hydrazine",1]
["1594-56-5","2,4-dinitrophenylthiocyanate;2,4-dinitrophenyl thiocyanate;2,4-dinitrophenyl ester thiocyanic acid;thiocyanic acid, 2,4-dinitrophenyl ester","c1(SC#N)c(N(=O)=O)cc(N(=O)=O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"Nitro-aromatic",1]
["1605-06-7","cis-stilbene imine","c1(C2C(c3ccccc3)N2)ccccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes|SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Aziridines",1,"Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Epoxides and aziridines",1,"Epoxides and aziridines",1]
["1606-67-3","1-aminopyrene;1-pyrenamine;pyren-1-ylamine;pyren-1-amine;1606-67-3","c12c3c4c(c(N)ccc4ccc3ccc1)cc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Polycyclic Aromatic Hydrocarbons (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons|Primary aromatic amine,hydroxyl amine and its derived esters",1,"Polycyclic Aromatic Hydrocarbons|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["1609-93-4","cis-3-chloropropenoic acid;cis-beta-chloro-acrylic acid;cis-3-chloroacrylic acid;(2z)-3-chloroacrylic acid;2-propenoic acid, 3-chloro-, (z)-;acrylic acid, 3-chloro-, (z)- (8ci)","C(=O)(O)C=CCl","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 102","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives",1,"No alert found",0,"Monohaloalkene (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives",1,"Monohaloalkene",1,"H-acceptor-path3-H-acceptor|Monohaloalkene",1]
["1622-57-7","1-methyl-2-aminobenzimidazole;1h-benzimidazol-2-amine, 1-methyl-","c12c(cccc1)N(C)C(N)=N2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Moderate Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary (unsaturated) heterocyclic amine",1,"Imidazole, benzimidazole (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["1622-62-4","flunitrazepam;5-(2-fluorophenyl)-1-methyl-7-nitro-1,3-dihydro-2h-1,4-benzodiazepin-2-one;2h-1,4-benzodiazepin-2-one, 1,3-dihydro-5-(2-fluorophenyl)-1-methyl-7-nitro-;1622-62-4","c1(C2c3c(ccc(N(=O)=O)c3)N(C)C(=O)CN=2)c(F)cccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Halogenated benzene (Nongenotox)|Nitro-aromatic (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"No alert found",0,"Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["1669-70-1","2-(4-chlorophenyl)-2-methyloxirane","C1(C)(c2ccc(Cl)cc2)CO1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides",1,"Epoxides and aziridines (Genotox)|Halogenated benzene (Nongenotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Epoxides and aziridines",1,"Epoxides and aziridines",1]
["1671-82-5","1-methyl-2-nitroimidazole;1-methyl-2-nitro-1h-imidazole;1h-imidazole, 1-methyl-2-nitro- (9ci)","C1(N(=O)=O)N(C)C=CN=1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Moderate Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Unsaturated heterocyclic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["1672-88-4","1-((3-(5-nitro-2-furyl)allylidene)amino)hydantoin;2,4-imidazolidinedione, 1-((3-(5-nitro-2-furanyl)-2-propenylidene)amino)- (9ci)","C1(C=CC=NN2C(=O)NC(=O)C2)=CC=C(N(=O)=O)O1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Unsaturated heterocyclic nitro",1,"Hydrazine (Genotox)|Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Hydrazine|Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Hydrazine|Nitro-aromatic",1]
["1694-20-8","trans-4-nitrostilbene;stilbene, 4-nitro-, (e)-","c1(C=Cc2ccc(N(=O)=O)cc2)ccccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"Nitro-aromatic",1]
["1707-31-9","n-hydroxy-n-formyl-2-aminonaphthalene","c12c(cc(N(O)C=O)cc1)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> N-hydroxylamines",1,"No alert found",0,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> N-hydroxylamines",1,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["1711-06-4","3-methylbenzoyl chloride;benzoyl chloride, 3-methyl-;m-toluoyl chloride;1711-06-4","C(=O)(Cl)c1cc(C)ccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Direct acylation involving a leaving group|SN2 >> Direct acylation involving a leaving group >> Acyl Halides",1,"Acylation|Acylation >> Direct Addition of an Acyl Halide|Acylation >> Direct Addition of an Acyl Halide >> Acyl halide",1,"Acyl halides (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct acylation involving a leaving group|SN2 >> Direct acylation involving a leaving group >> Acyl Halides",1,"Acyl halides",1,"Acyl halides",1]
["1732-23-6","2-aminopyrene","c12c3c4c(cc(N)cc4ccc3ccc1)cc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Polycyclic Aromatic Hydrocarbons (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons|Primary aromatic amine,hydroxyl amine and its derived esters",1,"Polycyclic Aromatic Hydrocarbons|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["1734-79-8","p-nitrocinnamaldehyde;4-nitrocinnamaldehyde;2-propenal, 3-(4-nitrophenyl)-;cinnamaldehyde, p-nitro-;(2e)-3-(4-nitrophenyl)prop-2-enal","c1(C=CC=O)ccc(N(=O)=O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100(1,8-DNP6)","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Michael addition|Michael addition >> alpha, beta-unsaturated carabonyl compounds|Michael addition >> alpha, beta-unsaturated carabonyl compounds >> Alpha, Beta-Unsaturated Aldehydes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Alpha, Beta-Unsaturated Aldehydes|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Michael addition|Michael addition >> alpha, beta-unsaturated carabonyl compounds|Michael addition >> alpha, beta-unsaturated carabonyl compounds >> Alpha, Beta-Unsaturated Aldehydes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Alpha, Beta-Unsaturated Aldehydes",1,"Nitro-aromatic",1,"Nitro-aromatic",1]
["1747-60-0","6-methoxy-2-benzothiazolamine;benzothiazole, 2-amino-6-methoxy-;6-methoxybenzothiazol-2-ylamine;6-methoxy-1,3-benzothiazol-2-amine","c12c(cc(OC)cc1)SC(N)=N2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary (unsaturated) heterocyclic amine",1,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0]
["1758-33-4","cis-2,3-epoxybutane;oxirane, 2,3-dimethyl-, cis-","C1(C)C(C)O1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides",1,"Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Epoxides and aziridines",1,"Epoxides and aziridines",1]
["1758-68-5","1,2-diaminoanthraquinone;9,10-anthracenedione, 1,2-diamino-;1,2-diamino-anthraquinone;anthraquinone, 1,2-diamino-;1,2-diaminoanthracene-9,10-dione","c12C(=O)c3c(C(=O)c1c(N)c(N)cc2)cccc3","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"No alert found",0,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Quinones (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Primary aromatic amine,hydroxyl amine and its derived esters|Quinones",1,"H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters|Quinones",1]
["1768-31-6","pentachloropropanone;dichloromethyl trichloromethyl ketone;pentachloroacetone;1,1,1,3,3-pentachloropropanone;1,1,1,3,3-pentachloropropan-2-one;2-propanone, 1,1,1,3,3-pentachloro-;dichloromethyltrichloromethyl ketone;1768-31-6","C(Cl)(Cl)(Cl)C(=O)C(Cl)Cl","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups",1,"No alert found",0,"Aliphatic halogens (Genotox)|Alkyl halides (Nongenotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups",1,"Aliphatic halogens",1,"Aliphatic halogen",1]
["1794-45-2","2-chlorocinnamaldehyde","c1(Cl)c(C=CC=O)cccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Michael addition|Michael addition >> alpha, beta-unsaturated carabonyl compounds|Michael addition >> alpha, beta-unsaturated carabonyl compounds >> Alpha, Beta-Unsaturated Aldehydes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Alpha, Beta-Unsaturated Aldehydes",1,"No alert found",0,"Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"Michael addition|Michael addition >> alpha, beta-unsaturated carabonyl compounds|No alert found|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers",1,"No alert found",0,"No alert found",0]
["1794-84-9","chloronitromethane;methane, chloronitro-;chloro(nitro)methane","C(Cl)N(=O)=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups",1,"No alert found",0,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups",1,"Aliphatic halogens",1,"Aliphatic halogen",1]
["1805-02-3","5-methoxy-1-methyl-2-aminobenzimidazole;2-amino-1-methyl-5-methoxybenzimidazole","c12c(cc(OC)cc1)N=C(N)N2C","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Moderate Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary (unsaturated) heterocyclic amine",1,"Imidazole, benzimidazole (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["1820-59-3","2,4,2',4'-tetranitrobiphenyl;biphenyl, 2,2',4,4'-tetranitro- (8ci)","c1(-c2c(N(=O)=O)cc(N(=O)=O)cc2)c(N(=O)=O)cc(N(=O)=O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"Nitro-aromatic",1]
["1837-57-6","acrinol","c12c(c(N)c3c(cc(N)cc3)n1)cc(OCC)cc2_C(=O)(O)C(C)O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition|No alert found|SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons|Primary aromatic amine,hydroxyl amine and its derived esters",1,"H-acceptor-path3-H-acceptor|Heterocyclic Polycyclic Aromatic Hydrocarbons|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["1849-36-1","p-nitrothiophenol;4-nitro-benzenethiol;4-nitrobenzenethiol;p-nitrobenzenethiol;benzenethiol, 4-nitro-","c1(S)ccc(N(=O)=O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Generation of reactive oxygen species|Radical >> Generation of reactive oxygen species >> Thiols|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Nitro-aromatic",1,"Nitro-aromatic",1]
["1874-12-0","5-nitro-2-furanacrylic acid, ethyl ester;1-(5-no2-2-furyl)-2-(coo-et)ethylene;5-nitro-2-furan acrylic acid, ethyl ester;2-propenoic acid, 3-(5-nitro-2-furanyl)-, ethyl ester (9ci)","C(=O)(C=CC1=CC=C(N(=O)=O)O1)OCC","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Moderate Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated esters|SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Unsaturated heterocyclic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["1874-22-2","5-nitro-2-furanacrolein;2-propenal, 3-(5-nitro-2-furanyl)-;5-nitrofuran-2-acrylaldehyde;(2e)-3-(5-nitrofuran-2-yl)prop-2-enal","C1(C=CC=O)=CC=C(N(=O)=O)O1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100(1,8-DNP6)","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Michael addition|Michael addition >> alpha, beta-unsaturated carabonyl compounds|Michael addition >> alpha, beta-unsaturated carabonyl compounds >> Alpha, Beta-Unsaturated Aldehydes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Alpha, Beta-Unsaturated Aldehydes|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated aldehydes|SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Unsaturated heterocyclic nitro",1,"alpha,beta-unsaturated carbonyls (Genotox)|Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Michael addition|Michael addition >> alpha, beta-unsaturated carabonyl compounds|Michael addition >> alpha, beta-unsaturated carabonyl compounds >> Alpha, Beta-Unsaturated Aldehydes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Alpha, Beta-Unsaturated Aldehydes|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"alpha,beta-unsaturated carbonyls|Nitro-aromatic",1,"alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["1874-23-3","methyl 5-nitro-2-furoate;2-furancarboxylic acid, 5-nitro-, methyl ester (9ci)","C(=O)(C1=CC=C(N(=O)=O)O1)OC","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Moderate Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Unsaturated heterocyclic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["1874-24-4","5-nitro-2-furanacrylic acid, methyl ester;1-(5-no2-2-furyl)-2-(coo-me)ethylene;2-furanacrylic acid, 5-nitro-, methyl ester","C(=O)(C=CC1=CC=C(N(=O)=O)O1)OC","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Moderate Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated esters|SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Unsaturated heterocyclic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["1888-89-7","1,2:5,6-diepoxyhexane;1,2:5,6-dianhydro-3,4-dideoxyhexitol;oxirane, 2,2'-(1,2-ethanediyl)bis- (9ci)","C1(CCC2CO2)CO1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides",1,"Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Epoxides and aziridines",1,"Epoxides and aziridines",1]
["1892-54-2","3-aminophenanthrene;3-phenanthrylamine","c12c(c3c(ccc(N)c3)cc1)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Moderate Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Polycyclic Aromatic Hydrocarbons (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons|Primary aromatic amine,hydroxyl amine and its derived esters",1,"Polycyclic Aromatic Hydrocarbons|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["1912-32-9","methanesulfonic acid;butyl methanesulfonate;butylmesi;butyl methanesulphonate;methanesulfonic acid, butyl ester;butyl ester","C(CCC)OS(C)(=O)=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Sulfonates and Sulfates",1,"SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Sulfonates",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Sulfonates and Sulfates",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid|H-acceptor-path3-H-acceptor",1]
["1937-35-5","c.i. direct red 13, disodium salt","C12C(C(=O)C=C(S(=O)(=O)O{-}.[Na]{+})C=1)=C(NNc1ccc(-c3ccc(N=Nc4c(N)c5c(c(S(=O)(=O)O{-}.[Na]{+})c4)cccc5)cc3)cc1)C(=N)C=C2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Specific Imine and Thione Derivatives|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN2|SN2 >> Diazonium ion formation|SN2 >> Diazonium ion formation >> Specific Imine and Thione Derivatives",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic azo",1,"Aromatic diazo (Genotox)|Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Specific Imine and Thione Derivatives|SN2|SN2 >> Diazonium ion formation|SN2 >> Diazonium ion formation >> Specific Imine and Thione Derivatives",1,"Aromatic diazo|Hydrazine",1,"Aromatic diazo|H-acceptor-path3-H-acceptor|Hydrazine",1]
["1951-56-0","n-isopropyl-5-nitro-2-furanacrylamide;n-ipr-3-(5-no2-2-furyl)acrylamide;n-isopropyl-3-(5-nitro-2-furyl)acrylamide;2-propenamide, n-(1-methylethyl)-3-(5-nitro-2-furanyl)- (9ci)","C(=O)(C=CC1=CC=C(N(=O)=O)O1)NC(C)C","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Moderate Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated amides|SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Unsaturated heterocyclic nitro",1,"alpha,beta-unsaturated carbonyls (Genotox)|Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"alpha,beta-unsaturated carbonyls|Nitro-aromatic",1,"alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["2058-02-08","1-amino-2-carboxylate-4-nitroanthraquinone;2-anthracenecarboxylic acid, 9,10-dihydro-1-amino-9,10-dioxo-4-nitro-;1-amino-9,10-dihydro-4-nitro-9,10-dioxoanthracene-2-carboxylic acid;2-anthracenecarboxylic acid, 1-amino-9,10-dihydro-4-nitro-9,10-dioxo-;1-amino-4-nitro-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid","c12C(=O)c3c(C(=O)c1c(N)c(C(=O)O)cc2N(=O)=O)cccc3","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Radical >> Radical mechanism by ROS formation >> Quinones|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN1 >> Nitrenium ion formation >> Nitro Compounds",{"$f":"IF(W771=\"No alert found\",0,1)","v":1},"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Quinones (Genotox)|Structural alert for genotoxic carcinogenicity",{"$f":"IF(AA771=\"No alert found\",0,1)","v":1},"Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Radical >> Radical mechanism by ROS formation >> Quinones|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",{"$f":"IF(AC771=\"No alert found\",0,1)","v":1},"Nitro-aromatic|Quinones",{"$f":"IF(AE771=\"No alert found\",0,1)","v":1},"H-acceptor-path3-H-acceptor|Nitro-aromatic|Quinones",{"$f":"IF(AG771=\"No alert found\",0,1)","v":1}]
["2085-88-3","2-methyl-2-phenyloxirane;cumene, alpha,beta-epoxy- (6ci,7ci,8ci)","C1(C)(c2ccccc2)CO1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes|SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides",1,"Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Epoxides and aziridines",1,"Epoxides and aziridines",1]
["2148-31-4","s-dichlorovinyl-n-acetylcysteine","C(=O)(O)C(CSC(Cl)=CCl)NC(C)=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 2638","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["2185-92-4","2-aminobiphenyl hydrochloride","c1(-c2c(N)cccc2)ccccc1_Cl{-}_R","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"No alert found|SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"Primary aromatic amine, hydroxyl amine and its derived esters",1]
["2186-24-5","p-cresyl glycidyl ether;[(p-tolyloxy)methyl]oxirane;p-cresol glycidyl ether;glycidyl p-tolyl ether;2-[(4-methylphenoxy)methyl]oxirane;[(ptolyloxy)methyl]oxirane","c1(OCC2CO2)ccc(C)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides",1,"Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Epoxides and aziridines",1,"Epoxides and aziridines|H-acceptor-path3-H-acceptor",1]
["2213-00-5","methyl marasmate;1a,2-diformyl-1a,3a,4,5,6,6a-hexahydro-5,5-dimethylcycloprop[e]indene-6b(1h)-carboxylic acid methyl ester;cycloprop(e)indene-6b(1h)-carboxylic acid, 1a,2-diformyl-1a,3a,4,5,6,6a-hexahydro-5,5-dimethyl-, methyl ester, (1as-(1a-alpha,3a-beta,6a-beta,6b-alpha))-","C(=O)(C12C(C=O)(C(C=O)=CC3C1CC(C)(C)C3)C2)OC","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated aldehydes|Schiff base formers|Schiff base formers >> Direct Acting Schiff Base Formers|Schiff base formers >> Direct Acting Schiff Base Formers >> Mono aldehydes",1,"Simple aldehyde (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Simple aldehyde",1,"H-acceptor-path3-H-acceptor|Simple aldehyde",1]
["2221-41-2","pteleine;furo(2,3-b)quinoline, 4,6-dimethoxy-","c12c(c(OC)c3c(ccc(OC)c3)n1)C=CO2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Heterocyclic Polycyclic Aromatic Hydrocarbons",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons",1]
["2226-96-2","4-hydroxy-2,2,6,6-tetramethylpiperidine-1-oxyl;1-piperidinyloxy, 4-hydroxy-2,2,6,6-tetramethyl-;piperidinooxy, 4-hydroxy-2,2,6,6-tetramethyl-;4-hydroxy-2,2,6,6-tetramethylpiperidinoxyl;2,2,6,6-tetramethylpiperidine-1,4-diol","C1(C)(C)CC(O)CC(C)(C)N1O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> N-hydroxylamines",1,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["2227-17-0","dienochlor;1,1',2,2',3,3',4,4',5,5'-decachloro-1,1'-bi(cyclopenta-2,4-dien-1-yl);1,1',2,2',3,3',4,4',5,5'-decachlorobi-2,4-cyclopentadien-1-yl;bi-2,4-cyclopentadien-1-yl, 1,1',2,2',3,3',4,4',5,5'-decachloro- (8ci)(9ci);2227-17-0","C1(Cl)C(Cl)(C2(Cl)C(Cl)=C(Cl)C(Cl)=C2Cl)C(Cl)=C(Cl)C=1Cl","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation >> Vicinal Dihaloalkanes|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives",1,"No alert found",0,"(Poly) Halogenated Cycloalkanes (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives",1,"No alert found",0,"No alert found",0]
["2243-78-9","2-nitrobenzidine","c1(-c2cc(N(=O)=O)c(N)cc2)ccc(N)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Nitro-aromatic (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Nitro-aromatic|Primary aromatic amine,hydroxyl amine and its derived esters",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["2255-50-7","8-hydroxydictamnine;robustine;furo(2,3-b)quinolin-8-ol, 4-methoxy-","c12c(c(OC)c3c(c(O)ccc3)n1)C=CO2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Heterocyclic Polycyclic Aromatic Hydrocarbons",1,"H-acceptor-path3-H-acceptor|Heterocyclic Polycyclic Aromatic Hydrocarbons",1]
["2278-22-0","peroxyacetyl nitrate;peroxyacetylnitrate;acetylnitroperoxide;1-(nitroperoxy)ethanone;peroxide, acetyl nitro","C(C)(=O)OON(=O)=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Moderate Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["2298-13-7","c.i. solvent yellow 3, monohydrochloride","c1(N)c(C)cc(N=Nc2c(C)cccc2)cc1_Cl{-}_R","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"No alert found|SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic azo|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Aromatic diazo (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Aromatic diazo|Primary aromatic amine,hydroxyl amine and its derived esters",1,"Aromatic diazo|H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["2307-69-9","isopropyl toluene-4-sulfonate;isopropyl toluene-4-sulphonate;benzenesulfonic acid, 4-methyl-, 1-methylethyl ester","c1(OS(=O)(=O)C(C)C)ccc(C)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Sulfonates",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["2314-97-8","iodotrifluoromethane;methane, trifluoroiodo-;trifluoroiodomethane;trifluoro(iodo)methane","C(F)(F)(F)I","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0]
["2319-96-2","5-methylbenz[a]anthracene;benz[a]anthracene, 5-methyl-;benz(a)anthracene, 5-methyl-","c1(C)c2c(c3c(cc4c(cccc4)c3)c1)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition|SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1",1,"Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1]
["2345-61-1","trans-3-chloropropenoic acid;acrylic acid, 3-chloro-, (e)-;trans-beta-chloro-acrylic acid;trans-3-chloroacrylic acid;(2e)-3-chloroprop-2-enoic acid;2-propenoic acid, 3-chloro-, (e)-","C(=O)(O)C=CCl","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 102","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives",1,"No alert found",0,"Monohaloalkene (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives",1,"Monohaloalkene",1,"H-acceptor-path3-H-acceptor|Monohaloalkene",1]
["2363-23-7","1-methylmercapto-2,4-dinitrobenzene;benzene, 2,4-dinitro-1-(methylthio)- (9ci)","c1(SC)c(N(=O)=O)cc(N(=O)=O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"Nitro-aromatic",1]
["2373-51-5","chlorodimethyl sulfide;chloromethyl methyl sulfide;chloromethyl methyl sulphide;chloro(methylsulfanyl)methane;methane, chloro(methylthio)- (9ci)","C(Cl)SC","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Alpha-Haloethers|SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alpha-Haloethers",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Alpha halo ethers (including alpha halo thioethers)",1,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Alpha-Haloethers|SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alpha-Haloethers",1,"Aliphatic halogens",1,"Aliphatic halogen",1]
["2373-98-0","3,3'-dihydroxybenzidine;(1,1'-biphenyl)-3,3'-diol, 4,4'-diamino-","c1(-c2cc(O)c(N)cc2)cc(O)c(N)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["2381-16-0","9-methylbenz[a]anthracene;9-methylbenz(a)anthracene;benz(a)anthracene, 9-methyl-","c12c(c3c(cc4c(ccc(C)c4)c3)cc1)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Moderate Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition|SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1",1,"Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1]
["2381-39-7","6-methylbenzo[a]pyrene;6-methylbenzo(a)pyrene;6-methylbenzo[def]chrysene;6-methylbenzo[pqr]tetraphene;6-methylbenzo(def)chrysene","c12c3c4c(c(C)c5c(c4ccc3ccc1)cccc5)cc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition|SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1",1,"Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1]
["2381-40-0","7,10-dimethylbenz[c]acridine;benz(c)acridine, 7,10-dimethyl-","c12c(c3c(c(C)c4c(cc(C)cc4)n3)cc1)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition|SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Heterocyclic Polycyclic Aromatic Hydrocarbons",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons",1]
["2386-87-0","7-oxabicyclo[4.1.0]heptane-3-carboxylic;ut-632;7-oxabicyclo[4.1.0]hept-3-ylmethyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate;7-oxabicyclo[4.1.0]heptane-3-carboxylic acid, 7-oxabicyclo[4.1.0]hept-3-ylmethyl ester;7-oxabicyclo 4.1.0 heptane-3-carboxylic acid, 7-oxabicyclo 4.1.0 hept-3-ylmethyl ester;7-oxabicycloХ4.1.0еheptane-3-carboxylic acid, 7-oxabicycloХ4.1.0еhept-3-ylmethyl ester;7-oxabicyclo(4.1.0)heptane-3-carboxylic acid, 7-oxabicyclo(4.1.0)hept-3-ylmethyl ester;2386-87-0","C(=O)(C1CC2C(CC1)O2)OCC1CC2C(CC1)O2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides",1,"Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Epoxides and aziridines",1,"Epoxides and aziridines|H-acceptor-path3-H-acceptor",1]
["2400-12-06","3-amino-2,1-benzisothiazole","C12C(=C(N)SN=1)C=CC=C2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary (unsaturated) heterocyclic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["2417-77-8","9-(bromomethyl)anthracene;anthracene, 9-bromomethyl-","c12c(c(CBr)c3c(cccc3)c1)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition|SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides",1,"Aliphatic halogens (Genotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups",1,"Aliphatic halogens|Polycyclic Aromatic Hydrocarbons",1,"Aliphatic halogen|Polycyclic Aromatic Hydrocarbons",1]
["2422-79-9","12-methylbenz[a]anthracene;12-methylbenz(a)anthracene;benz(a)anthracene, 12-methyl-","c12c(c3c(C)c4c(cc3cc1)cccc4)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Moderate Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition|SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1",1,"Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1]
["2425-85-6","c.i. pigment red 3;1-(4-methyl-2-nitrophenylazo)-2-naphthol;2-naphthalenol, 1-[(4-methyl-2-nitrophenyl)azo]-","C1(=O)C(=NNc2c(N(=O)=O)cc(C)cc2)c2c(C=C1)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Hydrazine (Genotox)|Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Hydrazine|Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Hydrazine|Nitro-aromatic",1]
["2429-82-5","c.i. direct brown 2, disodium salt","C1(S(=O)(=O)O{-}.[Na]{+})C(=NNc2ccc(-c3ccc(NN=C4C=C(C(=O)O{-}.[Na]{+})C(=O)C=C4)cc3)cc2)C(=O)c2c(ccc(N)c2)C=1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinoneimine Derivatives|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Specific Imine and Thione Derivatives|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|Radical >> ROS formation after GSH depletion >> Quinoneimine Derivatives|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN2|SN2 >> Diazonium ion formation|SN2 >> Diazonium ion formation >> Specific Imine and Thione Derivatives",1,"Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated ketones|SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"alpha,beta-unsaturated carbonyls (Genotox)|Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinoneimine Derivatives|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Specific Imine and Thione Derivatives|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Quinoneimine Derivatives|SN2|SN2 >> Diazonium ion formation|SN2 >> Diazonium ion formation >> Specific Imine and Thione Derivatives",1,"alpha,beta-unsaturated carbonyls|Hydrazine",1,"alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor|Hydrazine",1]
["2435-76-9","5-diazouracil;2,4(3h,5h)-pyrimidinedione, 5-diazo-;5-diazopyrimidine-2,4(3h,5h)-dione","C1(=O)C(=N{+}=N{-})C=NC(=O)N1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives|SN2|SN2 >> Carbenium Ion Formation|SN2 >> Carbenium Ion Formation >> Diazoalkanes",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Diazoalkanes",1,"Aliphatic azo and azoxy (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives|SN2|SN2 >> Carbenium Ion Formation|SN2 >> Carbenium Ion Formation >> Diazoalkanes",1,"Aliphatic azo and azoxy",1,"Aliphatic azo and azoxy|H-acceptor-path3-H-acceptor",1]
["2451-62-9","tris(2,3-epoxypropyl)isocyanurate;1,3,5-triazine-2,4,6(1h,3h,5h)-trione, 1,3,5-tris(2-oxiranylmethyl)-;tris (2,3-epoxypropyl) isocyanurate;1,3,5-tris(oxiranylmethyl)-1,3,5-triazine-2,4,6(1h,3h,5h)-trione;1,3,5-triazine-2,4,6(1h,3h,5h)-trione, 1,3,5-tris(oxiranylmethyl)-;s-triazine-2,4,6(1h,3h,5h)-trione, 1,3,5-tris(2,3-epoxypropyl)-;s-triazine-2,4,6(1h,3h,5h)-trione, tris(2,3-epoxypropyl)-;1,3,5-triglycidyl-s-triazinetrione;1,3,5-tris(oxiran-2-ylmethyl)-1,3,5-triazinane-2,4,6-trione;1,3,5tris(oxiranylmethyl)1,3,5triazine2,4,6(1h,3h,5h)trione(tgic)","C1(=O)N(CC2CO2)C(=O)N(CC2CO2)C(=O)N1CC1CO1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives|SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines|SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides",1,"Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Epoxides and aziridines",1,"Epoxides and aziridines|H-acceptor-path3-H-acceptor",1]
["2461-42-9","glycidyl 1-naphthyl ether;[(naphthyloxy)methyl]oxirane;2-[(naphthalen-1-yloxy)methyl]oxirane;naphthalene, 1-(2,3-epoxypropoxy)-","c1(OCC2CO2)c2c(cccc2)ccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides",1,"Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Epoxides and aziridines",1,"Epoxides and aziridines|H-acceptor-path3-H-acceptor",1]
["2461-43-0","2-benzylphenyl glycidyl ether;propane, 1,2-epoxy-3-((alpha-phenyl-o-tolyl)oxy)- (7ci,8ci)","c1(OCC2CO2)c(Cc2ccccc2)cccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes|SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides",1,"Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Epoxides and aziridines",1,"Epoxides and aziridines|H-acceptor-path3-H-acceptor",1]
["2486-04-06","2,4-dinitrobiphenyl","c1(-c2c(N(=O)=O)cc(N(=O)=O)cc2)ccccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"Nitro-aromatic",1]
["2498-75-1","3-methylbenz[a]anthracene;3-methylbenz(a)anthracene;benz[a]anthracene, 3-methyl-;benz(a)anthracene, 3-methyl-","c12c(c3c(cc4c(cccc4)c3)cc1)ccc(C)c2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Moderate Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition",1,"Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1]
["2498-76-2","2-methylbenz[a]anthracene;benz(a)anthracene, 2-methyl-","c12c(c3c(cc4c(cccc4)c3)cc1)cc(C)cc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition",1,"Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1]
["2498-77-3","1-methylbenz[a]anthracene;1-methylbenz(a)anthracene;benz(a)anthracene, 1-methyl-","c1(C)c2c3c(cc4c(cccc4)c3)ccc2ccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Moderate Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition",1,"Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1]
["2508-20-5","2-nitrosofluorene;fluorene, 2-nitroso-;9h-fluorene, 2-nitroso-","c12-c3c(cc(N=O)cc3)Cc1cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitroso",1,"Aromatic nitroso group (Genotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"Aromatic nitroso group|Polycyclic Aromatic Hydrocarbons",1,"Aromatic nitroso group  |H-acceptor-path3-H-acceptor|Polycyclic Aromatic Hydrocarbons",1]
["2517-98-8","7-acetoxymethyl-12-methylbenz[a]anthracene;benz(a)anthracene-7-methanol, 12-methyl-, acetate","c12c(c3c(C)c4c(c(COC(C)=O)c3cc1)cccc4)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Specific Acetate Esters|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN1 >> Carbenium ion formation >> Specific Acetate Esters|SN2|SN2 >> Acylating agents|SN2 >> Acylating agents >> Specific Acetate Esters|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Specific Acetate Esters",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition|SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1",1,"Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Specific Acetate Esters|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN1 >> Carbenium ion formation >> Specific Acetate Esters|SN2|SN2 >> Acylating agents|SN2 >> Acylating agents >> Specific Acetate Esters|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Specific Acetate Esters",1,"Polycyclic Aromatic Hydrocarbons",1,"H-acceptor-path3-H-acceptor|Polycyclic Aromatic Hydrocarbons",1]
["2531-84-2","2-methylphenanthrene;phenanthrene, 2-methyl-;2-methyl phenanthrene","c12c(c3c(cc(C)cc3)cc1)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1",1,"Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1]
["2564-06-09","n-benzyl-2-chloroacetamide","c1(CNC(=O)CCl)ccccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes",1,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aliphatic halogens",1,"Aliphatic halogen|H-acceptor-path3-H-acceptor",1]
["2564-64-9","12-acetoxymethyl-7-methylbenz[a]anthracene;12-acetoxymethyl-7-methylbenz(a)anthracene","c12c(c3c(COC(C)=O)c4c(c(C)c3cc1)cccc4)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Specific Acetate Esters|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN1 >> Carbenium ion formation >> Specific Acetate Esters|SN2|SN2 >> Acylating agents|SN2 >> Acylating agents >> Specific Acetate Esters|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Specific Acetate Esters",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition|SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1",1,"Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Specific Acetate Esters|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN1 >> Carbenium ion formation >> Specific Acetate Esters|SN2|SN2 >> Acylating agents|SN2 >> Acylating agents >> Specific Acetate Esters|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Specific Acetate Esters",1,"Polycyclic Aromatic Hydrocarbons",1,"H-acceptor-path3-H-acceptor|Polycyclic Aromatic Hydrocarbons",1]
["2565-01-07","o-methyldomesticine","c12-c3c(OC)c(OC)cc4c3C(Cc1cc1c(c2)OCO1)N(C)CC4","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"1,3-Benzodioxoles (Nongenotox)|o-phenylphenol (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["2578-75-8","n-(5-(5-nitro-2-furanyl)-1,3,4-thiadiazol-2-yl)acetamide;n-[5-(5-nitro-2-furyl)-1,3,4-thiadiazol-2-yl]acetamide;n-[5-(5-nitrofuran-2-yl)-1,3,4-thiadiazol-2-yl]acetamide;acetamide, n-(5-(5-nitro-2-furanyl)-1,3,4-thiadiazol-2-yl)- (9ci)","C1(C2=CC=C(N(=O)=O)O2)=NN=C(NC(C)=O)S1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Unsaturated heterocyclic nitro",1,"Aromatic N-acyl amine (Genotox)|Hydrazine (Genotox)|Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Aromatic N-acyl amine|Hydrazine|Nitro-aromatic",1,"Aromatic N-acyl amine|H-acceptor-path3-H-acceptor|Hydrazine|Nitro-aromatic",1]
["2586-60-9","c.i. direct violet 1, disodium salt","C1(=O)C2C(=C(S(=O)(=O)O{-}.[Na]{+})C=C1)C=CC(=N)C=2NNc1ccc(-c2ccc(NNC3C(=N)C=CC4=C(S(=O)(=O)O{-}.[Na]{+})C=CC(=O)C=34)cc2)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Specific Imine and Thione Derivatives|SN2|SN2 >> Diazonium ion formation|SN2 >> Diazonium ion formation >> Specific Imine and Thione Derivatives",1,"Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated ketones",1,"Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Specific Imine and Thione Derivatives|SN2|SN2 >> Diazonium ion formation|SN2 >> Diazonium ion formation >> Specific Imine and Thione Derivatives",1,"Hydrazine",1,"H-acceptor-path3-H-acceptor|Hydrazine",1]
["2589-39-1","2-methyl-1,4-dihydroxyanthraquinone;9,10-anthracenedione, 1,4-dihydroxy-2-methyl- (9ci)","c12C(=O)c3c(C(=O)c1c(O)c(C)cc2O)cccc3","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Alkyl phenols|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones",1,"Quinones (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones",1,"Quinones",1,"H-acceptor-path3-H-acceptor|Quinones",1]
["2608-48-2","5-(4-nitrophenyl)-2,4-pentadienal;5-(4-nitrophenyl)-2,4-pentadien-1-al (nppd);5-(4-nitrophenyl)-2,4-pentadien-1-al;2,4-pentadienal, 5-(4-nitrophenyl)-","c1(C=CC=CC=O)ccc(N(=O)=O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Michael addition|Michael addition >> alpha, beta-unsaturated carabonyl compounds|Michael addition >> alpha, beta-unsaturated carabonyl compounds >> Alpha, Beta-Unsaturated Aldehydes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Alpha, Beta-Unsaturated Aldehydes|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated aldehydes|SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"alpha,beta-unsaturated carbonyls (Genotox)|Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Michael addition|Michael addition >> alpha, beta-unsaturated carabonyl compounds|Michael addition >> alpha, beta-unsaturated carabonyl compounds >> Alpha, Beta-Unsaturated Aldehydes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Alpha, Beta-Unsaturated Aldehydes",1,"alpha,beta-unsaturated carbonyls|Nitro-aromatic",1,"alpha,beta-unsaturated carbonyls|Nitro-aromatic",1]
["2648-51-3","3,3-dichloropropenal;2-propenal, 3,3-dichloro- (9ci)","C(Cl)(Cl)=CC=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Michael addition|Michael addition >> alpha, beta-unsaturated carabonyl compounds|Michael addition >> alpha, beta-unsaturated carabonyl compounds >> Alpha, Beta-Unsaturated Aldehydes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Alpha, Beta-Unsaturated Aldehydes|SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives",1,"No alert found",0,"alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Michael addition|Michael addition >> alpha, beta-unsaturated carabonyl compounds|Michael addition >> alpha, beta-unsaturated carabonyl compounds >> Alpha, Beta-Unsaturated Aldehydes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Alpha, Beta-Unsaturated Aldehydes|SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives",1,"alpha,beta-unsaturated carbonyls",1,"alpha,beta-unsaturated carbonyls",1]
["2650-18-2","c.i. acid blue 9","c12c(C{+}(c3ccc(N(Cc4cc(S(=O)(=O)O{-}.N{+})ccc4)CC)cc3)(c3ccc(N(Cc4cc(S(=O)(=O)O{-}.N{+})ccc4)CC)cc3).O{-}S1(=O)=O)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["2687-25-4","2,3-diaminotoluene;1,2-benzenediamine, 3-methyl-;toluene-2,3-diamine;3-methylbenzene-1,2-diamine","c1(N)c(N)c(C)ccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"No alert found",0,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["2687-40-3","4-acetamido-4'-nitrodiphenyl ether;acetamide, n-[4-(4-nitrophenoxy)phenyl]-","c1(Oc2ccc(NC(C)=O)cc2)ccc(N(=O)=O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Moderate Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Aromatic N-acyl amine (Genotox)|Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Aromatic N-acyl amine|Nitro-aromatic",1,"1-phenoxy-benzene|Aromatic N-acyl amine|H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["2687-41-4","n-acetyl-4,4'-diaminodiphenyl ether","c1(Oc2ccc(N)cc2)ccc(NC(C)=O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Aromatic N-acyl amine (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Aromatic N-acyl amine|Primary aromatic amine,hydroxyl amine and its derived esters",1,"1-phenoxy-benzene|Aromatic N-acyl amine|H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["2693-46-1","3-aminofluoranthene;fluoranthen-3-ylamine;3-fluoranthenamine;fluoranthen-3-amine","c1(N)c2c3c(c4c(c3ccc2)cccc4)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Polycyclic Aromatic Hydrocarbons (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Polycyclic Aromatic Hydrocarbons|Primary aromatic amine,hydroxyl amine and its derived esters",1,"Polycyclic Aromatic Hydrocarbons|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["2832-40-8","c.i. disperse yellow 3;n-[4-[(2-hydroxy-5-methylphenyl)azo]phenyl]acetamide;acetamide, n-[4-[(2-hydroxy-5-methylphenyl)azo]phenyl]-;disperseyellow3","C1(=O)C(=NNc2ccc(NC(C)=O)cc2)C=C(C)C=C1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinoneimine Derivatives|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Specific Imine and Thione Derivatives|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Quinoneimine Derivatives|SN2|SN2 >> Diazonium ion formation|SN2 >> Diazonium ion formation >> Specific Imine and Thione Derivatives",1,"Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated ketones",1,"alpha,beta-unsaturated carbonyls (Genotox)|Aromatic N-acyl amine (Genotox)|Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinoneimine Derivatives|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Specific Imine and Thione Derivatives|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Quinoneimine Derivatives|SN2|SN2 >> Diazonium ion formation|SN2 >> Diazonium ion formation >> Specific Imine and Thione Derivatives",1,"alpha,beta-unsaturated carbonyls|Aromatic N-acyl amine|Hydrazine",1,"alpha,beta-unsaturated carbonyls|Aromatic N-acyl amine|H-acceptor-path3-H-acceptor|Hydrazine",1]
["2846-29-9","3beta-hydroxycholest-5-ene-7alpha-hydroperoxide;cholest-5-en-3-ol, 7-hydroperoxy-, (3-beta,7-alpha)-","C12C(C)(C3C(C4C(C)(C(C(C)CCCC(C)C)CC4)CC3)C(OO)C=1)CCC(O)C2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Organic Peroxy Compounds",1,"No alert found",0,"No alert found",0,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Organic Peroxy Compounds",1,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["2876-23-5","2-aminophenazine;phenazin-2-ylamine;2-phenazinamine (9ci)","c12c(cc(N)cc1)nc1c(cccc1)n2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Moderate Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition|SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons|Primary aromatic amine,hydroxyl amine and its derived esters",1,"H-acceptor-path3-H-acceptor|Heterocyclic Polycyclic Aromatic Hydrocarbons|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["2912-62-1","(+/-)-2-chloro-2-phenylacetyl chloride;chloro(phenyl)acetyl chloride","C(=O)(Cl)C(Cl)c1ccccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Acylation|Acylation >> Direct Addition of an Acyl Halide|Acylation >> Direct Addition of an Acyl Halide >> Acyl halide|Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes",1,"Acyl halides (Genotox)|Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Acyl halides|Aliphatic halogens",1,"Acyl halides|Aliphatic halogen",1]
["2942-42-9","7-nitroindazole;7-nitro-1h-indazole;1h-indazole, 7-nitro-","c1(N(=O)=O)c2c(C=NN2)ccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Hydrazine (Genotox)|Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Hydrazine|Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Hydrazine|Nitro-aromatic",1]
["2945-03-01","n-benzyl-2-bromoacetamide","c1(CNC(=O)CBr)ccccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes",1,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aliphatic halogens",1,"Aliphatic halogen|H-acceptor-path3-H-acceptor",1]
["2945-96-2","c.i. direct black 17","C1(S(=O)(=O)O{-}.[Na]{+})C(=NNc2c(OC)cc(N=Nc3ccc(N)cc3)c(C)c2)C(=O)c2c(ccc(N)c2)C=1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Specific Imine and Thione Derivatives|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN2|SN2 >> Diazonium ion formation|SN2 >> Diazonium ion formation >> Specific Imine and Thione Derivatives",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic azo|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Aromatic diazo (Genotox)|Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Specific Imine and Thione Derivatives|SN2|SN2 >> Diazonium ion formation|SN2 >> Diazonium ion formation >> Specific Imine and Thione Derivatives",1,"Aromatic diazo|Hydrazine",1,"Aromatic diazo|H-acceptor-path3-H-acceptor|Hydrazine",1]
["2950-43-8","hydroxylamine-o-sulfonic acid;hydroxylamine-o-sulphonic acid;(aminooxy)(hydroxy)sulfane dioxide","NOS(=O)(=O)O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Moderate Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","G 46","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["2978-11-02","o-(p-nitrobenzyl)-n,n'-diisopropylisourea;1,3-diisopropyl-2-(p-nitrobenzyl)isourea;carbamimidic acid, n,n'-bis(1-methylethyl)-, (4-nitrophenyl)methyl ester;4-nitrobenzyl n,n'-dipropan-2-ylcarbamimidoate","c1(N(=O)=O)ccc(COC(=NC(C)C)NC(C)C)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Nitro-aromatic",1,"Nitro-aromatic",1]
["2997-92-4","2,2'-azobis(2-methylpropanimidamide) dihydrochloride","R_C(=N)(N)C(C)(C)N=NC(C)(C)C(=N)N_Cl{-}","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Aliphatic azo and azoxy (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aliphatic azo and azoxy",1,"Aliphatic azo and azoxy|H-acceptor-path3-H-acceptor",1]
["3009-50-5","4-[(4-methoxyphenyl)azo]-n,n-dimethylbenzenamine;aniline, n,n-dimethyl-p-(4-methoxyphenylazo)-","c1(N=Nc2ccc(OC)cc2)ccc(N(C)C)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic azo|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine",1,"Aromatic diazo (Genotox)|Aromatic mono-and dialkylamine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aromatic diazo|Aromatic mono-and dialkylamine",1,"Aromatic diazo|Aromatic mono- and dialkylamine|H-acceptor-path3-H-acceptor",1]
["3025-77-2","c.i. solvent red 5;1-((4-nitrophenyl)azo)-2-naphthenamine;1-[(4-nitrophenyl)azo]naphthalen-2-amine;2-naphthalenamine, 1-[(4-nitrophenyl)azo]-;1-[(4-nitrophenyl)diazenyl]naphthalen-2-amine;2-naphthalenamine, 1-(2-(4-nitrophenyl)diazenyl)-","c1(N)c(N=Nc2ccc(N(=O)=O)cc2)c2c(cccc2)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN1 >> Nitrenium ion formation >> Nitro Compounds",{"$f":"IF(W835=\"No alert found\",0,1)","v":1},"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic azo|SN1 >> Nitrenium Ion formation >> Aromatic nitro|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Aromatic diazo (Genotox)|Nitro-aromatic (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",{"$f":"IF(AA835=\"No alert found\",0,1)","v":1},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",{"$f":"IF(AC835=\"No alert found\",0,1)","v":1},"Aromatic diazo|Nitro-aromatic|Primary aromatic amine,hydroxyl amine and its derived esters",{"$f":"IF(AE835=\"No alert found\",0,1)","v":1},"Aromatic diazo|H-acceptor-path3-H-acceptor|Nitro-aromatic|Primary aromatic amine, hydroxyl amine and its derived esters",{"$f":"IF(AG835=\"No alert found\",0,1)","v":1}]
["3029-19-4","1-pyrene carboxaldehyde;pyrene-1-carbaldehyde","c12c3c4c(c(C=O)ccc4ccc3ccc1)cc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"No alert found",0,"Polycyclic Aromatic Hydrocarbons (Genotox)|Simple aldehyde (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons|Simple aldehyde",1,"Polycyclic Aromatic Hydrocarbons|Simple aldehyde",1]
["3031-74-1","ethyl hydroperoxide;ethyl-hydroperoxide;ethylhydroperoxide;hydroperoxide, ethyl","C(C)OO","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Organic Peroxy Compounds",1,"No alert found",0,"No alert found",0,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Organic Peroxy Compounds",1,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["3054-60-2","n-p-methylphenyl-d-xylosylamine;xylopyranosylamine, n-p-tolyl-, d- (8ci)","c1(NC2C(O)C(O)C(O)CO2)ccc(C)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Secondary aromatic amine",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["3058-37-5","potassium (z)-methanediazotate","C(N=N)O{-}.K{+}","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Diazenes",1,"No alert found",0,"Aliphatic azo and azoxy (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Diazenes",1,"Aliphatic azo and azoxy",1,"Aliphatic azo and azoxy|H-acceptor-path3-H-acceptor",1]
["3062-57-5","1,6-dinitrocarbazole","c12-c3c(c(N(=O)=O)ccc3)Nc1ccc(N(=O)=O)c2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 98(NR)","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons|Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Heterocyclic Polycyclic Aromatic Hydrocarbons|Nitro-aromatic",1]
["3066-70-4","2,3-dibromopropyl methacrylate;2-propenoic acid, 2-methyl-, 2,3-dibromopropyl ester;2,3-dibromopropylmethacrylate","C(=O)(C(=C)C)OCC(Br)CBr","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation >> Vicinal Dihaloalkanes|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Heteroatom",1,"Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated esters|SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> 1,2-Dihaloalkanes",1,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation >> Vicinal Dihaloalkanes",1,"Aliphatic halogens",1,"Aliphatic halogen|H-acceptor-path3-H-acceptor",1]
["3074-03-01","11h-benzo[b]fluoren-11-one","c12C(=O)c3c(-c1cc1c(cccc1)c2)cccc3","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1]
["3077-12-01","n,n-bis(2-hydroxyethyl)-p-toluidine;ethanol, 2,2'- (4-methylphenyl)imino bis-;2,2'-[(4-methylphenyl)imino]bisethanol;ethanol, 2,2’-[(4-methylphenyl)imino]bis-;ethanol, 2,2'-[(4-methylphenyl)imino]bis-;ethanol, 2,2'-(p-tolylimino)di-;ethanol, 2,2'-Х(4-methylphenyl)iminoеbis-;2,2'-[(4-methylphenyl)imino]diethanol","c1(N(CCO)CCO)ccc(C)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["3077-85-8","3-nitrocarbazole;3-nitro-9h-carbazole;9h-carbazole, 3-nitro-","c12-c3c(ccc(N(=O)=O)c3)Nc1cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons|Nitro-aromatic",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons|Nitro-aromatic",1]
["3083-23-6","1,2-epoxy-3,3,3-trichloropropane;1,1,1-trichloro-2,3-epoxypropane;(trichloromethyl)oxirane;2-(trichloromethyl)oxirane","C(Cl)(Cl)(Cl)C1CO1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes",1,"SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides",1,"Alkyl halides (Nongenotox)|Epoxides and aziridines (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes",1,"Epoxides and aziridines",1,"Epoxides and aziridines",1]
["3096-52-4","2-nitro-9-fluorenone;9h-fluoren-9-one, 2-nitro-","c12C(=O)c3c(-c1ccc(N(=O)=O)c2)cccc3","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic|Polycyclic Aromatic Hydrocarbons",1,"Nitro-aromatic|Polycyclic Aromatic Hydrocarbons",1]
["3096-62-6","2,3-dimethylphenylhydroxylamine","c1(NO)c(C)c(C)ccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> N-hydroxylamines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic N-hydroxylamines",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> N-hydroxylamines",1,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["3096-63-7","2,6-dimethylphenylhydroxylamine;benzenamine, n-hydroxy-2,6-dimethyl- (9ci)","c1(C)c(NO)c(C)ccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> N-hydroxylamines",1,"No alert found",0,"No alert found",0,"SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> N-hydroxylamines",1,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["3096-64-8","2,5-dimethylphenylhydroxylamine","c1(C)c(NO)cc(C)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> N-hydroxylamines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic N-hydroxylamines",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> N-hydroxylamines",1,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["3102-70-3","2,4-diaminomesitylene;2,4,6-trimethylbenzene-1,3-diamine;2,4-mesitylenediamine (7ci,8ci)","c1(C)c(N)c(C)c(N)c(C)c1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0]
["3153-55-7","o-nornuciferine;4h-dibenzo(de,g)quinolin-2-ol, 5,6,6a,7-tetrahydro-1-methoxy-6-methyl-, (r)-","c12-c3c(OC)c(O)cc4c3C(Cc1cccc2)N(C)CC4","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"o-phenylphenol (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["3175-89-1","ushinsunine;5h-benzo(g)-1,3-benzodioxolo(6,5,4-de)quinolin-8-ol, 6,7,7a,8-tetrahydro-7-methyl-, (7as-trans)-","c12-c3c4c(cc5c3C(C(O)c1cccc2)N(C)CC5)OCO4","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"1,3-Benzodioxoles (Nongenotox)|o-phenylphenol (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["3198-41-2","1,2,3,4-tetrahydro-5-aminoacridine;acridine, 1,2,3,4-tetrahydro-5-amino-","c1(N)c2c(cc3c(CCCC3)n2)ccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 97A","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["3244-54-0","3,6-dinitrocarbazole;3,6-dinitro-9h-carbazole","c12-c3c(ccc(N(=O)=O)c3)Nc1ccc(N(=O)=O)c2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 98(NR)","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons|Nitro-aromatic",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons|Nitro-aromatic",1]
["3311-98-6","n-(2-chloroethyl)-n'-(5-nitro-2-thiazolyl)urea;urea, n-(2-chloroethyl)-n'-(5-nitro-2-thiazolyl)- (9ci)","C1(N(=O)=O)=CN=C(NC(=O)NCCCl)S1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives|SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Nitrogen Mustards",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Unsaturated heterocyclic nitro|SN1 >> Nitrenium Ion formation >> Unsaturated heterocyclic phenylureas|SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> Mustards",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["3328-25-4","3beta-hydroxy-5alpha-cholest-6-ene-5-hydroperoxide;hydroperoxide, 3-beta-hydroxy-5-alpha-cholest-6-en-5-yl (6ci,7ci)","C12(OO)C(C)(C3C(C4C(C)(C(C(C)CCCC(C)C)CC4)CC3)C=C1)CCC(O)C2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Organic Peroxy Compounds",1,"No alert found",0,"No alert found",0,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Organic Peroxy Compounds",1,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["3333-66-2","7-chloro-5,6-dimethylbenz[c]acridine;benz(c)acridine, 7-chloro-5,6-dimethyl-","c12c(c(Cl)c3c(c4c(c(C)c3C)cccc4)n1)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition|SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Heterocyclic Polycyclic Aromatic Hydrocarbons",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons",1]
["3365-85-3","p,p'-diaminoterphenyl;4,4''-diaminoterphenyl;(1,1':4',1''-terphenyl)-4,4''-diamine","c1(-c2ccc(-c3ccc(N)cc3)cc2)ccc(N)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Moderate Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"Primary aromatic amine, hydroxyl amine and its derived esters",1]
["3366-61-8","n-acetylbenzidine;acetamide, n-(4'-amino(1,1'-biphenyl)-4-yl)- (9ci);3366-61-8","c1(-c2ccc(NC(C)=O)cc2)ccc(N)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 102","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Aromatic N-acyl amine (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aromatic N-acyl amine|Primary aromatic amine,hydroxyl amine and its derived esters",1,"Aromatic N-acyl amine|H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["3366-65-2","2-aminophenanthrene;2-phenanthrenamine (9ci)","c12c(c3c(cc(N)cc3)cc1)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Polycyclic Aromatic Hydrocarbons (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons|Primary aromatic amine,hydroxyl amine and its derived esters",1,"Polycyclic Aromatic Hydrocarbons|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["3411-58-3","l-cysteine ethyl ester","HN{+}(H)(.Cl{-})C(C(=O)OCC)CS","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 102","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Generation of reactive oxygen species|Radical >> Generation of reactive oxygen species >> Thiols",1,"No alert found",0,"No alert found",0,"Radical|Radical >> Generation of reactive oxygen species|Radical >> Generation of reactive oxygen species >> Thiols",1,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["3414-62-8","6-n-hydroxylaminopurine riboside;adenine, n-hydroxy-9-ribofuranosyl-","c1(NO)c2c(N(C3C(O)C(O)C(CO)O3)C=N2)ncn1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> N-hydroxylamines",1,"No alert found",0,"Imidazole, benzimidazole (Nongenotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> N-hydroxylamines",1,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"H-acceptor-path3-H-acceptor|Oxolane|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["3416-21-5","3-methylcholanthrene 11,12-epoxide;benz(7,8)aceanthryleno(9,10-b)oxirene, 1a,10,11,11c-tetrahydro-9-methyl- (9ci)","c12-c3c(c4c5c(c(C)ccc5c3)CC4)C3C(c1cccc2)O3","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides",1,"Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Epoxides and aziridines",1,"Epoxides and aziridines",1]
["3420-97-1","p-nitrosophenetole;benzene, 1-ethoxy-4-nitroso-","c1(OCC)ccc(N=O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitroso",1,"Aromatic nitroso group (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"Aromatic nitroso group",1,"Aromatic nitroso group  |H-acceptor-path3-H-acceptor",1]
["3442-62-4","2-nitrophenazine;phenazine, 2-nitro-","c12c(cc(N(=O)=O)cc1)nc1c(cccc1)n2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition|SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons|Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Heterocyclic Polycyclic Aromatic Hydrocarbons|Nitro-aromatic",1]
["3475-63-6","trimethylnitrosourea;1-nitroso-trimethyl urea;urea, 1,1,3-trimethyl-3-nitroso-;3475-63-6","C(=O)(N(C)C)N(C)N=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Moderate Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2",1,"Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"Alkyl and aryl N-nitroso groups",1,"Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor",1]
["3491-12-01","1,4-phenylenedi(4-aminophenyl ether)","c1(Oc2ccc(Oc3ccc(N)cc3)cc2)ccc(N)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"1-phenoxy-benzene|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["3546-41-6","pyrvinium pamoate;pyrvinium embonate;bis{6-(dimethylamino)-2-[(e)-2-(2,5-dimethyl-1-phenyl-1h-pyrrol-3-yl)ethenyl]-1-methylquinolinium} 4,4'-methanediylbis(3-hydroxynaphthalene-2-carboxylate);quinolinium, 6-(dimethylamino)-2-[2-(2,5-dimethyl-1-phenyl-1h-pyrrol-3-yl)ethenyl]-1-methyl-, salt with 4,4'-methylenebis[3-hydroxy-2-naphthalenecarboxylic acid] (2:1)","C(=O)(c1c(O)c(Cc2c(O)c(C(=O)O{-}.n{+}3(C)c4c(cc(N(C)C)cc4)ccc3C=CC3=C(C)N(c4ccccc4)C(C)=C3)cc3c2cccc3)c2c(cccc2)c1)O{-}.n{+}1(C)c2c(cc(N(C)C)cc2)ccc1C=CC1=C(C)N(c2ccccc2)C(C)=C1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine",1,"Aromatic mono-and dialkylamine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aromatic mono-and dialkylamine",1,"Aromatic mono- and dialkylamine|H-acceptor-path3-H-acceptor",1]
["3564-09-08","ponceau 3r;disodium 3-hydroxy-4-[(2,4,5-trimethylphenyl)azo]naphthalene-2,7-disulphonate","C1(S(=O)(=O)O{-}.[Na]{+})C(=O)C(=NNc2c(C)cc(C)c(C)c2)c2c(cc(S(=O)(=O)O{-}.[Na]{+})cc2)C=1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Hydrazine",1,"H-acceptor-path3-H-acceptor|Hydrazine",1]
["3571-31-1","physcionanthrone b;anthrone, 1,8-dihydroxy-3-methoxy-6-methyl-","c12C(=O)c3c(O)cc(OC)cc3Cc1cc(C)cc2O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["3585-32-8","1,3-dimethyltriazene;1-triazene, 1,3-dimethyl-","CN=NNC","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Carbenium Ion Formation|SN2 >> Carbenium Ion Formation >> Acyclic Triazenes",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Triazenes",1,"Azide and triazene groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Carbenium Ion Formation|SN2 >> Carbenium Ion Formation >> Acyclic Triazenes",1,"Azide and triazene groups",1,"Azide and triazene groups|H-acceptor-path3-H-acceptor",1]
["3586-69-4","2-nitroanthracene;anthracene, 2-nitro-","c12c(cc3c(cc(N(=O)=O)cc3)c1)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition|SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic|Polycyclic Aromatic Hydrocarbons",1,"Nitro-aromatic|Polycyclic Aromatic Hydrocarbons",1]
["3626-29-7","c.i. direct brown 101, trisodium salt","C(=O)(C1C(=O)C=CC(=NNc2c3c(c(N=Nc4ccc(-c5ccc(NN=C6C=C(C(=O)O{-}.[Na]{+})C(=O)C=C6)cc5)cc4)cc2)ccc(S(=O)(=O)O{-}.[Na]{+})c3)C=1)O{-}.[Na]{+}","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinoneimine Derivatives|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Specific Imine and Thione Derivatives|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Quinoneimine Derivatives|SN2|SN2 >> Diazonium ion formation|SN2 >> Diazonium ion formation >> Specific Imine and Thione Derivatives",1,"Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated ketones|SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic azo",1,"alpha,beta-unsaturated carbonyls (Genotox)|Aromatic diazo (Genotox)|Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinoneimine Derivatives|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Specific Imine and Thione Derivatives|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Quinoneimine Derivatives|SN2|SN2 >> Diazonium ion formation|SN2 >> Diazonium ion formation >> Specific Imine and Thione Derivatives",1,"alpha,beta-unsaturated carbonyls|Aromatic diazo|Hydrazine",1,"alpha,beta-unsaturated carbonyls|Aromatic diazo|H-acceptor-path3-H-acceptor|Hydrazine",1]
["3671-71-4","n-hydroxy-2-benzoylaminofluorene;benzohydroxamic acid, n-fluoren-2-yl-","c12-c3c(cc(N(O)C(=O)c4ccccc4)cc3)Cc1cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> N-hydroxylamines",1,"No alert found",0,"Polycyclic Aromatic Hydrocarbons (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> N-hydroxylamines",1,"Polycyclic Aromatic Hydrocarbons|Primary aromatic amine,hydroxyl amine and its derived esters",1,"H-acceptor-path3-H-acceptor|Polycyclic Aromatic Hydrocarbons|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["3671-78-1","2-benzoylaminofluorene;benzamide, n-9h-fluoren-2-yl- (9ci)","c12-c3c(cc(NC(=O)c4ccccc4)cc3)Cc1cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Polycyclic Aromatic Hydrocarbons",1,"H-acceptor-path3-H-acceptor|Polycyclic Aromatic Hydrocarbons",1]
["3675-13-6","cis-2-butene-1,4-dial;cis-butenedial;malealdehyde;2-butenedial, (z)-","C(=O)C=CC=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Moderate Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 104","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Michael addition|Michael addition >> alpha, beta-unsaturated carabonyl compounds|Michael addition >> alpha, beta-unsaturated carabonyl compounds >> Alpha, Beta-Unsaturated Aldehydes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Alpha, Beta-Unsaturated Aldehydes",1,"Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated aldehydes",1,"alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Michael addition|Michael addition >> alpha, beta-unsaturated carabonyl compounds|Michael addition >> alpha, beta-unsaturated carabonyl compounds >> Alpha, Beta-Unsaturated Aldehydes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Alpha, Beta-Unsaturated Aldehydes",1,"alpha,beta-unsaturated carbonyls",1,"alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor",1]
["3722-54-1","1,3,7-trimethoxyxanthone;xanthen-9-one, 1,3,7-trimethoxy-","c12C(=O)c3c(OC)cc(OC)cc3Oc1ccc(OC)c2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"1-phenoxy-benzene|H-acceptor-path3-H-acceptor",1]
["3740-52-1","o-nitrophenylacetic acid;2-nitrophenylacetic acid;benzeneacetic acid, 2-nitro-;(2-nitrophenyl)acetic acid;acetic acid, (o-nitrophenyl)-","c1(N(=O)=O)c(CC(=O)O)cccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["3741-15-9","4-nitroquinoline;quinoline, 4-nitro-","c1(N(=O)=O)c2c(cccc2)ncc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Moderate Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Nitro-aromatic",1,"Nitro-aromatic",1]
["3778-73-2","isophosphamide;ifosfamide;1,3,2-oxazaphosphorine, 3-(2-chloroethyl)-2-((2-chloroethyl)amino)tetrahydro-, 2;n,3-bis(2-chloroethyl)-1,3,2-oxazaphosphinan-2-amine 2-oxide;2h-1,3,2-oxazaphosphorine, 3-(2-chloroethyl)-2-((2-chloroethyl)amino)tetrahydro-, 2-oxide (8ci)","C1CCN(CCCl)P(=O)(NCCCl)O1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Nitrogen Mustards|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> Mustards",1,"No alert found",0,"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["3787-28-8","2,3,3-trichloropropenal;2-propenal, 2,3,3-trichloro- (9ci)","C(Cl)(Cl)=C(Cl)C=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Michael addition|Michael addition >> alpha, beta-unsaturated carabonyl compounds|Michael addition >> alpha, beta-unsaturated carabonyl compounds >> Alpha, Beta-Unsaturated Aldehydes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Alpha, Beta-Unsaturated Aldehydes|SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives",1,"No alert found",0,"alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for nongenotoxic carcinogenicity|Structural alerts for both genotoxic and nongenotoxic carcinogenicity|Trichloro (or fluoro) ethylene and Tetrachloro (or fluoro) ethylene (Nongenotox)",1,"Michael addition|Michael addition >> alpha, beta-unsaturated carabonyl compounds|Michael addition >> alpha, beta-unsaturated carabonyl compounds >> Alpha, Beta-Unsaturated Aldehydes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Alpha, Beta-Unsaturated Aldehydes|SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives",1,"alpha,beta-unsaturated carbonyls",1,"alpha,beta-unsaturated carbonyls",1]
["3807-77-0","3-nitroacenaphthene;acenaphthylene, 1,2-dihydro-3-nitro- (9ci)","c12c3c(c(N(=O)=O)ccc3ccc1)CC2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"Nitro-aromatic",1]
["3817-11-06","n-butyl-n-(4-hydroxybutyl)nitrosamine;4-[butyl(nitroso)amino]butan-1-ol;4-hydroxybutyl butyl nitrosamine;3817-11-6","C(O)CCCN(CCCC)N=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2",1,"Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"Alkyl and aryl N-nitroso groups",1,"Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor",1]
["3930-19-6","streptonigrin","C1(OC)C(=O)c2c(C(=O)C=1N)nc(C1=C(N)C(=C3C(=O)C(OC)=C(OC)C=C3)C(C)=C(C(=O)O)N1)cc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 102","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Michael addition|Michael addition >> Quinones and Quinone-type Chemicals|Michael addition >> Quinones and Quinone-type Chemicals >> Quinones",1,"alpha,beta-unsaturated carbonyls (Genotox)|Quinones (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"alpha,beta-unsaturated carbonyls|Quinones",1,"alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor|Quinones",1]
["3989-90-0","2-nitrochrysene;chrysene, 2-nitro-","c12c(c3c(c4c(cc(N(=O)=O)cc4)cc3)cc1)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Nitro-aromatic|Polycyclic Aromatic Hydrocarbons",1,"Nitro-aromatic|Polycyclic Aromatic Hydrocarbons",1]
["4003-94-5","4-nitrostilbene","c1(N(=O)=O)c(C=Cc2ccccc2)cccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"Nitro-aromatic",1]
["4081-23-6","2-phenoxy-4h-1,3,2-benzodioxaphosphorin 2-oxide;phosphoric acid, phenyl ester, cyclic ester with o-hydroxybenzyl alcohol (7ci)","c12c(cccc1)COP(=O)(Oc1ccccc1)O2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"No alert found",0,"No alert found",0,"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["4097-53-4","4-hydroxy-3,5-dinitrobiphenyl","c1(-c2cc(N(=O)=O)c(O)c(N(=O)=O)c2)ccccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["4176-53-8","1-aminophenanthrene;1-phenanthrenamine (9ci)","c1(N)c2c(c3c(cccc3)cc2)ccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Polycyclic Aromatic Hydrocarbons (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons|Primary aromatic amine,hydroxyl amine and its derived esters",1,"Polycyclic Aromatic Hydrocarbons|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["4213-45-0","icr 10","c12c(c(NC(C)CCCN(CCCl)CCCl)c3c(cc(Cl)cc3)n1)cc(OC)cc2_Cl{-}_Cl{-}_R_R","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aminoacridine Derivatives|SN2|SN2 >> Direct acting aziridines|SN2 >> Direct acting aziridines >> Aminoacridine Derivatives|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Nitrogen Mustards",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition|No alert found|SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines|SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> Mustards",1,"Halogenated benzene (Nongenotox)|Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|S or N mustard (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"No alert found|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aminoacridine Derivatives|SN2|SN2 >> Direct acting aziridines|SN2 >> Direct acting aziridines >> Aminoacridine Derivatives|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Nitrogen Mustards",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons|S or N mustard",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons|S or N mustard",1]
["4238-71-5","1-benzylimidazole;1-benzyl-1h-imidazole;1h-imidazole, 1-(phenylmethyl)-;1-(phenylmethyl)-1h-imidazole;imidazole, 1-benzyl- (8ci)","c1(CN2C=CN=C2)ccccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes|SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["4245-77-6","n-ethyl-n'-nitro-n-nitrosoguanidine;guanidine, n-ethyl-n'-nitro-n-nitroso- (9ci)","C(N)(N(CC)N=O)=NN(=O)=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2",1,"Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"Alkyl and aryl N-nitroso groups",1,"Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor",1]
["4251-89-2","icr 292","c12c(c(NCCCN(CCCl)CC)c3c(c4c(cccc4)cc3)n1)cccc2_Cl{-}_Cl{-}_R_R","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found|SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Nitrogen Mustards",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition|No alert found|SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines|SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> Mustards",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found|SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Nitrogen Mustards",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons",1]
["4309-66-4","trans-4-aminostilbene;4-stilbenamine, (e)-;benzenamine, 4-(2-phenylethenyl)-, (e)- (9ci)","c1(C=Cc2ccc(N)cc2)ccccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"Primary aromatic amine, hydroxyl amine and its derived esters",1]
["4332-51-8","benzyl 2-chloroethyl sulfide;[[(2-chloroethyl)thio]methyl]benzene;{[(2-chloroethyl)sulfanyl]methyl}benzene;(((2-chloroethyl)thio)methyl)benzene","c1(CSCCCl)ccccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes|SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> Mustards",1,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0]
["4337-51-3","6-nitro-1,2-benzisothiazol-3(2h)-one;1,2-benzisothiazol-3(2h)-one, 6-nitro-","C1(=O)c2c(cc(N(=O)=O)cc2)SN1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["4342-03-04","dacarbazine","C(N)(=O)C1C(=NNN(C)C)N=CN=1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","G 46","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Specific Imine and Thione Derivatives|SN2|SN2 >> Diazonium ion formation|SN2 >> Diazonium ion formation >> Specific Imine and Thione Derivatives",1,"No alert found",0,"Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Specific Imine and Thione Derivatives|SN2|SN2 >> Diazonium ion formation|SN2 >> Diazonium ion formation >> Specific Imine and Thione Derivatives",1,"Hydrazine",1,"H-acceptor-path3-H-acceptor|Hydrazine",1]
["4436-24-2","phenylpropylene oxide;oxirane, (phenylmethyl)- (9ci)","c1(CC2CO2)ccccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes|SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides",1,"Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Epoxides and aziridines",1,"Epoxides and aziridines",1]
["4438-16-8","chrysoidine r","c1(N=Nc2ccccc2)c(N)cc(N)c(C)c1_Cl{-}_R","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",{"$f":"IF(W899=\"No alert found\",0,1)","v":1},"No alert found|SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic azo|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Aromatic diazo (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",{"$f":"IF(AA899=\"No alert found\",0,1)","v":1},"No alert found|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",{"$f":"IF(AC899=\"No alert found\",0,1)","v":1},"Aromatic diazo|Primary aromatic amine,hydroxyl amine and its derived esters",{"$f":"IF(AE899=\"No alert found\",0,1)","v":1},"Aromatic diazo|H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters",{"$f":"IF(AG899=\"No alert found\",0,1)","v":1}]
["4450-68-4","p-nitrobenzyl tosylate;benzenemethanol, 4-nitro-, 4-methylbenzenesulfonate (ester)","c1(N(=O)=O)ccc(COS(=O)(=O)c2ccc(C)cc2)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Sulfonates and Sulfates",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid (Genotox)|Benzenesulfonic ethers, methylation (Nongenotox)|Nitro-aromatic (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Sulfonates and Sulfates",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid|Nitro-aromatic",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid|H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["4457-41-4","p-nitrobenzyl benzoate;benzenemethanol, 4-nitro-, benzoate (ester) (9ci)","C(=O)(c1ccccc1)OCc1ccc(N(=O)=O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["4465-94-5","cytoxal alcohol","C1(N)CCCCC1_C(O)CCNP(=O)(O)N(CCCl)CCCl","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found|SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Nitrogen Mustards",1,"No alert found|SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> Mustards",1,"S or N mustard (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found|SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Nitrogen Mustards",1,"S or N mustard",1,"H-acceptor-path3-H-acceptor|S or N mustard",1]
["4514-19-6","12-methylbenzo[a]pyrene;benzo(a)pyrene, 12-methyl-","c1(C)c2c3c4c(c5c(cc4ccc3ccc2)cccc5)c1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition|SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1",1,"Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1]
["4533-39-5","1-nitro-9-(dimethylaminopropylamino)acridine;n,n-dimethyl-n'-(1-nitro-acridin-9-yl)-propane-1,3-diamine;nitracrine;1,3-propanediamine, n,n-dimethyl-n'-(1-nitro-9-acridinyl)- (9ci)","c12c(c(NCCCN(C)C)c3c(cccc3N(=O)=O)n1)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Moderate Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 98(1,8-DNP6)","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition|SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons|Nitro-aromatic",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons|Nitro-aromatic",1]
["4539-51-9","2-aminocarbazole;9h-carbazol-2-amine (9ci)","c12-c3c(cc(N)cc3)Nc1cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons|Primary aromatic amine,hydroxyl amine and its derived esters",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["4543-63-9","n,o-di(methylcarbamoyl)hydroxylamine","C(=O)(N(C)C(=O)NC)ON","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["4559-64-2","2,3-diamino-7-chlorophenazine;2,3-phenazinediamine, 7-chloro-","c1(N)c(N)cc2c(c1)nc1c(cc(Cl)cc1)n2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition|SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Halogenated benzene (Nongenotox)|Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons|Primary aromatic amine,hydroxyl amine and its derived esters",1,"H-acceptor-path3-H-acceptor|Heterocyclic Polycyclic Aromatic Hydrocarbons|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["4584-57-0","1,4-dimethylamino-4'-nitrostilbene;benzenamine, n,n-dimethyl-4- 2-(4-nitrophenyl)ethenyl -;4-stilbenamine, n,n-dimethyl-4'-nitro-;benzenamine, n,n-dimethyl-4-Õ2-(4-nitrophenyl)ethenylå-;benzenamine, n,n-dimethyl-4-[2-(4-nitrophenyl)ethenyl]-;benzenamine, n,n-dimethyl-4-(2-(4-nitrophenyl)ethenyl)-","c1(C=Cc2ccc(N(C)C)cc2)ccc(N(=O)=O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine",1,"Aromatic mono-and dialkylamine (Genotox)|Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Aromatic mono-and dialkylamine|Nitro-aromatic",1,"Aromatic mono- and dialkylamine|Nitro-aromatic",1]
["4629-58-7","4-amino-4'-nitrostilbene;4-(4-nitrostyryl)aniline;4-[(e)-2-(4-nitrophenyl)ethenyl]aniline;benzenamine, 4-(2-(4-nitrophenyl)ethenyl)-","c1(C=Cc2ccc(N(=O)=O)cc2)ccc(N)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Nitro-aromatic (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic|Primary aromatic amine,hydroxyl amine and its derived esters",1,"Nitro-aromatic|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["4637-56-3","4-(hydroxyamino)quinoline 1-oxide","C1(=NO)c2c(cccc2)N(O)C=C1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Specific Imine and Thione Derivatives|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> N-hydroxylamines|SN2|SN2 >> Diazonium ion formation|SN2 >> Diazonium ion formation >> Specific Imine and Thione Derivatives",1,"No alert found",0,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Specific Imine and Thione Derivatives|SN2|SN2 >> Diazonium ion formation|SN2 >> Diazonium ion formation >> Specific Imine and Thione Derivatives",1,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["4643-05-04","cis-3-chloroallyl alcohol","C(Cl)=CCO","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Monohaloalkene (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Monohaloalkene",1,"Monohaloalkene",1]
["4643-06-05","trans-3-chloroallyl alcohol","C(Cl)=CCO","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Monohaloalkene (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Monohaloalkene",1,"Monohaloalkene",1]
["4648-33-3","4-methoxy-4'-nitrostilbene;benzene,1-methoxy-4-[2-(4-nitrophenyl)ethenyl]-,(e)-(9ci);benzene, 1-methoxy-4-(2-(4-nitrophenyl)ethenyl)-, (e)-","c1(C=Cc2ccc(N(=O)=O)cc2)ccc(OC)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"Nitro-aromatic",1]
["4648-54-8","trimethylsilyl azide;azidotrimethylsilane;silane, azidotrimethyl-\"\"\";silane, azidotrimethyl-;azido(trimethyl)silane","C[Si](C)(C)N=N#N","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Azide and triazene groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Azide and triazene groups",1,"Azide and triazene groups",1]
["4659-45-4","2,6-dichlorobenzoyl chloride;benzoyl chloride, 2,6-dichloro-","C(=O)(Cl)c1c(Cl)cccc1Cl","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Direct acylation involving a leaving group|SN2 >> Direct acylation involving a leaving group >> Acyl Halides",1,"Acylation|Acylation >> Direct Addition of an Acyl Halide|Acylation >> Direct Addition of an Acyl Halide >> Acyl halide",1,"Acyl halides (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct acylation involving a leaving group|SN2 >> Direct acylation involving a leaving group >> Acyl Halides",1,"Acyl halides",1,"Acyl halides",1]
["4671-93-6","benzyl selenocyanate;benzysecn","c1(C[Se]C#N)ccccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes",1,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0]
["4698-96-8","4-biphenylyl glycidyl ether;1-(biphenyl-4-yloxy)-2,3-epoxypropane;2-[(biphenyl-4-yloxy)methyl]oxirane;propane, 1-(4-biphenyloxy)-2,3-epoxy- (7ci,8ci)","c1(-c2ccc(OCC3CO3)cc2)ccccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides",1,"Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Epoxides and aziridines",1,"Epoxides and aziridines|H-acceptor-path3-H-acceptor",1]
["4801-39-2","2-aminoacetanilide hydrochloride","HN{+}(H)(.Cl{-})c1c(NC(C)=O)cccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"No alert found",0,"Aromatic N-acyl amine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aromatic N-acyl amine",1,"Aromatic N-acyl amine|H-acceptor-path3-H-acceptor",1]
["4812-40-2","2-(hydroxymethyl)-5-nitro-1h-imidazole-1-ethanol","C1(N(=O)=O)=CN=C(CO)N1CCO","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Unsaturated heterocyclic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["4823-47-6","2-bromoethyl acrylate;2-propenoic acid, 2-bromoethyl ester (9ci)","C(=O)(C=C)OCCBr","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Heteroatom",1,"Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated esters|SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides",1,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aliphatic halogens",1,"Aliphatic halogen|H-acceptor-path3-H-acceptor",1]
["4836-66-2","2,4-dinitrobenzyl alcohol;benzyl alcohol, 2,4-dinitro-","c1(CO)c(N(=O)=O)cc(N(=O)=O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"Nitro-aromatic",1]
["4947-27-7","1-anilino-2-methylanthraquinone;2-methyl-1-(phenylamino)anthraquinone;2-methyl-1-(phenylamino)anthracene-9,10-dione","c12C(=O)c3c(C(=O)c1c(Nc1ccccc1)c(C)cc2)cccc3","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones",1,"No alert found",0,"Quinones (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones",1,"Quinones",1,"H-acceptor-path3-H-acceptor|Quinones",1]
["5042-54-6","2,4-diamino-5-methylazobenzene;5-(phenylazo)toluene-2,4-diamine;1,3-benzenediamine, 4-methyl-6-(phenylazo)-;4-methyl-6-(phenyldiazenyl)benzene-1,3-diamine;toluene-2,4-diamine, 5-(phenylazo)-c.i. basic orange 1van;c.i. basic orange 1 (8ci)","c1(N=Nc2ccccc2)c(N)cc(N)c(C)c1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic azo|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Aromatic diazo (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Aromatic diazo|Primary aromatic amine,hydroxyl amine and its derived esters",1,"Aromatic diazo|H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["5116-24-5","5-hydroxymethyldeoxyuridine;1-(2-deoxypentofuranosyl)-5-(hydroxymethyl)pyrimidine-2,4(1h,3h)-dione","C1(=O)C(CO)=CN(C2CC(O)C(CO)O2)C(=O)N1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"alpha,beta-unsaturated carbonyls",1,"alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor|Oxolane",1]
["5141-20-8","c.i. acid green 5","c1(C{+}2(c3ccc(N(Cc4cc(S(=O)(=O)O{-}.[Na]{+})ccc4)CC)cc3)c3ccc(cc3)N(CC)Cc3cc(ccc3)S(=O)(=O)O{-}.2)ccc(S(=O)(=O)O{-}.[Na]{+})cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["5166-35-8","3-chloro-2-methyl-1-butene;1-butene, 3-chloro-2-methyl-","C(=C)(C)C(C)Cl","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Moderate Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides",1,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aliphatic halogens",1,"Aliphatic halogen",1]
["5216-25-1","alpha,alpha,alpha-trichloro-4-chlorotoluene;4-chlorobenzotrichloride;±,±,±,4-tetrachlorotoluene;?,?,?,4-tetrachlorotoluene;benzene, 1-chloro-4-(trichloromethyl)-;alpha, alpha, alpha, 4-tetrachlorotoluene;toluene, p,.alpha.,.alpha.,.alpha.-tetrachloro-;1-chloro-4-(trichloromethyl)benzene;pchlorobenzotrichloride;p-chlorobenzotrichloride;α,α,α,4-tetrachlorotoluene;4-chloro-benzotrichloride;toluene, alpha,alpha,alpha,p-tetrachloro-;5216-25-1","C(Cl)(Cl)(Cl)c1ccc(Cl)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups",1,"No alert found",0,"Alkyl halides (Nongenotox)|Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups",1,"No alert found",0,"No alert found",0]
["5221-17-0","2,3-dibromopropanol;2,3-dibromopropionaldehyde;2,3-dibromopropanal;propanal, 2,3-dibromo- (9ci)","C(=O)C(Br)CBr","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation >> Vicinal Dihaloalkanes|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups",1,"Schiff base formers|Schiff base formers >> Direct Acting Schiff Base Formers|Schiff base formers >> Direct Acting Schiff Base Formers >> Mono aldehydes",1,"Aliphatic halogens (Genotox)|Simple aldehyde (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation >> Vicinal Dihaloalkanes|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups",1,"Aliphatic halogens|Simple aldehyde",1,"Aliphatic halogen|Simple aldehyde",1]
["5234-06-0","2-naphthyl glycidyl ether;[(2-naphthyloxy)methyl]oxirane;2-[(naphthalen-2-yloxy)methyl]oxirane;oxirane, ((2-naphthalenyloxy)methyl)- (9ci)","c12c(cc(OCC3CO3)cc1)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides",1,"Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Epoxides and aziridines",1,"Epoxides and aziridines|H-acceptor-path3-H-acceptor",1]
["5255-75-4","glycidyl 4-nitrophenyl ether;[(p-nitrophenoxy)methyl]oxirane;oxirane, [(4-nitrophenoxy)methyl]-;2-[(4-nitrophenoxy)methyl]oxirane","c1(OCC2CO2)ccc(N(=O)=O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro|SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides",1,"Epoxides and aziridines (Genotox)|Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Epoxides and aziridines|Nitro-aromatic",1,"Epoxides and aziridines|H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["5280-07-09","5,6,7,8-tetrafluoroquinoline","c1(F)c(F)c(F)c(F)c2c1cccn2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0]
["5280-10-04","5,6,8-trifluoroquinoline","C1(=O)C(=O)C(=C(O)C2C(C)=C(C(=O)OCC)NC=2C)C(c2ccc(Cl)cc2)N1Cc1cccnc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["5296-38-8","4-benzylphenyl glycidyl ether;propane, 1,2-epoxy-3-((alpha-phenyl-p-tolyl)oxy)- (7ci,8ci)","c1(OCC2CO2)ccc(Cc2ccccc2)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes|SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides",1,"Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Epoxides and aziridines",1,"Epoxides and aziridines|H-acceptor-path3-H-acceptor",1]
["5329-15-7","2-acetylamino-5-aminoanisole;o-acetanisidide, 4'-amino- (8ci)","c1(NC(C)=O)c(OC)cc(N)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Moderate Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Aromatic N-acyl amine (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aromatic N-acyl amine|Primary aromatic amine,hydroxyl amine and its derived esters",1,"Aromatic N-acyl amine|H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["5329-87-3","2-nitro-9,10-dihydrophenanthrene;phenanthrene, 9,10-dihydro-2-nitro-","c12-c3c(cc(N(=O)=O)cc3)CCc1cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Nitro-aromatic",1,"Nitro-aromatic",1]
["5336-53-8","n-nitrosodibenzylamine;benzenemethanamine, n-nitroso-n-(phenylmethyl)-;benzenemethanamide, n-nitroso-n-(phenylmethyl)- (9ci);5336-53-8","c1(CN(Cc2ccccc2)N=O)ccccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes|SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2",1,"Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"Alkyl and aryl N-nitroso groups",1,"Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor",1]
["5381-79-3","1-n-methyl-5(6)-nitrobenzimidazole;benzimidazole, 1-methyl-6-nitro- (8ci)","c12c(cc(N(=O)=O)cc1)N(C)C=N2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Imidazole, benzimidazole (Nongenotox)|Nitro-aromatic (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"No alert found",0,"Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["5385-75-1","dibenzo[a,e]fluoranthene;dibenzo(a,e)fluoranthene;dibenz(a,e)aceanthrylene","c12c(c3c4c(c5c(c4c4c(cccc4)c3)cccc5)c1)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Moderate Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition|SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1",1,"Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1]
["5386-28-7","fluoranthene 2,3-quinone","C1(=O)C(=O)c2c3C(c4c(-c3ccc2)cccc4)=C1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TM 677","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Polycyclic Aromatic Hydrocarbons",1,"H-acceptor-path3-H-acceptor|Polycyclic Aromatic Hydrocarbons",1]
["5397-37-5","3-nitrofluorene;9h-fluorene, 3-nitro- (9ci)","c12-c3c(ccc(N(=O)=O)c3)Cc1cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 98(NR)","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic|Polycyclic Aromatic Hydrocarbons",1,"Nitro-aromatic|Polycyclic Aromatic Hydrocarbons",1]
["5405-53-8","2,7-dinitrofluorene;9h-fluorene, 2,7-dinitro-;2,7-dinitro-9h-fluorene;9h-fluorene, 2,7-dinitro- (9ci)","c12-c3c(cc(N(=O)=O)cc3)Cc1cc(N(=O)=O)cc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality, Conflict","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic|Polycyclic Aromatic Hydrocarbons",1,"Nitro-aromatic|Polycyclic Aromatic Hydrocarbons",1]
["5407-04-05","beta-dimethylaminopropylchloride hydrochloride","C(Cl)CCN(C)C_Cl{-}_R","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Heteroatom",1,"No alert found|SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines|SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides",1,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Heteroatom",1,"Aliphatic halogens",1,"Aliphatic halogen",1]
["5412-25-9","bis(2,3-dibromopropyl)phosphate","C(Br)(CO)CBr_O=P1(O)O{-}.[Mg]{2+}.O{-}1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Elimination (E2)|Elimination (E2) >> E2 elimination reaction with epoxide formation|Elimination (E2) >> E2 elimination reaction with epoxide formation >> Haloalcohols|No alert found|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Haloalcohols|SN2|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation >> Vicinal Dihaloalkanes",1,"No alert found|SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> 1,2-Dihaloalkanes",1,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Elimination (E2)|Elimination (E2) >> E2 elimination reaction with epoxide formation|Elimination (E2) >> E2 elimination reaction with epoxide formation >> Haloalcohols|No alert found|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Haloalcohols|SN2|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation >> Vicinal Dihaloalkanes",1,"Aliphatic halogens",1,"Aliphatic halogen|H-acceptor-path3-H-acceptor",1]
["5422-34-4","n-beta-hydroxyethyllactamide;n-2-hydroxyethyllactamide;propanamide, 2-hydroxy-n-(2-hydroxyethyl)-;n-(2-hydroxyethyl)lactamide;2-hydroxy-n-(2-hydroxyethyl)propanamide","C(=O)(C(C)O)NCCO","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["5460-35-5","4-amino-1,2-naphthoquinone;1,2-naphthalenedione, 4-amino-","C1(=O)C(=O)c2c(C(N)=C1)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Moderate Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["5461-85-8","n-isobutyl-n'-nitro-n-nitrosoguanidine","C(N)(N(CC(C)C)N=O)=NN(=O)=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2",1,"Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"Alkyl and aryl N-nitroso groups",1,"Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor",1]
["5493-45-8","1,2-cyclohexanedicarboxylic acid, bis(oxiranylmethyl) ester;1,2-cyclohexanedicarboxylic acid, bis(oxiranylmethyl)ester;bis(2,3-epoxypropyl) cyclohexane-1,2-dicarboxylate;bis(oxiran-2-ylmethyl) cyclohexane-1,2-dicarboxylate;1,2-cyclohexanedicarboxylic acid, bis(2,3-epoxypropyl) ester","C(=O)(C1C(C(=O)OCC2CO2)CCCC1)OCC1CO1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides",1,"Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Epoxides and aziridines",1,"Epoxides and aziridines|H-acceptor-path3-H-acceptor",1]
["5496-41-3","2-(3,4-dimethoxyphenyl)-4,5-diphenyl-1h-imidazole","c1(C2=C(c3ccccc3)N=C(c3cc(OC)c(OC)cc3)N2)ccccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones",1,"Imidazole, benzimidazole (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["5579-05-05","p-biphenylyl n-methylcarbamate","c1(-c2ccc(OC(=O)NC)cc2)ccccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["5589-96-8","bromochloroacetic acid;bromo-chloro-acetic acid;(r)-bromo-chloro-acetic acid;dl-bromochloroacetic acid;bromochloracetic acid (bca)","C(=O)(O)C(Cl)Br","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups",1,"No alert found",0,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups",1,"Aliphatic halogens",1,"Aliphatic halogen|H-acceptor-path3-H-acceptor",1]
["5634-39-9","iodinated glycerol;2-(1-iodoethyl)-1,3-dioxolan-4-ylmethanol;[2-(1-iodoethyl)-1,3-dioxolan-4-yl]methanol;iodinated glycerol (organidin®.);1,3-dioxolane-4-methanol, 2-(1-iodoethyl)-","C1(C(C)I)OC(CO)CO1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Heteroatom",1,"SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides",1,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aliphatic halogens",1,"Aliphatic halogen|H-acceptor-path3-H-acceptor",1]
["5709-67-1","2-nitrobenzimidazole;1h-benzimidazole, 2-nitro- (9ci)","c12c(cccc1)N=C(N(=O)=O)N2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Unsaturated heterocyclic nitro",1,"Imidazole, benzimidazole (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["5709-68-2","1-n-methyl-2-nitrobenzimidazole;benzimidazole, 1-methyl-2-nitro-","c12c(cccc1)N(C)C(N(=O)=O)=N2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Unsaturated heterocyclic nitro",1,"Imidazole, benzimidazole (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["5737-13-3","4h-cyclopenta[def]phenanthren-4-one;4h-cyclopenta(def)phenanthren-4-one","c12C(=O)c3c4c(ccc(c14)ccc2)ccc3","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"No alert found",0,"Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1]
["5776-38-5","9-amino-10-methylacridinium chloride","c12c(c(N)c3c(cccc3)n{+}1(C).Cl{-})cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Heterocyclic Polycyclic Aromatic Hydrocarbons|Primary aromatic amine,hydroxyl amine and its derived esters",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["5836-85-1","15,16-dihydro-11-methoxy-17h-cyclopenta[a]phenanthren-17-one;15,16-dihydro-11-methoxy-17h-cyclopenta(a)phenanthren-17-one","C1(=O)c2c(c3c(c4c(cccc4)cc3)c(OC)c2)CC1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1",1,"Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1]
["5855-71-0","2,2'-dinitrobenzidine","c1(-c2c(N(=O)=O)cc(N)cc2)c(N(=O)=O)cc(N)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Nitro-aromatic (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic|Primary aromatic amine,hydroxyl amine and its derived esters",1,"Nitro-aromatic|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["5862-77-1","2,4-diaminoethoxybenzene","c1(OCC)c(N)cc(N)cc1_O=S(=O)(O)O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"No alert found|SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["5869-25-0","8-aminofluoranthene","c12c3c(c4c(c3ccc1)cc(N)cc4)ccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Polycyclic Aromatic Hydrocarbons (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Polycyclic Aromatic Hydrocarbons|Primary aromatic amine,hydroxyl amine and its derived esters",1,"Polycyclic Aromatic Hydrocarbons|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["5875-25-2","2-bromopropanamide;2-bromopropionamide;propanamide, 2-bromo- (9ci)","C(N)(=O)C(C)Br","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Moderate Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aliphatic halogens",1,"Aliphatic halogen|H-acceptor-path3-H-acceptor",1]
["6051-98-5","7h-benzo[c]fluoren-7-one;7h-benzo(c)fluoren-7-one","c12C(=O)c3c(c4c(cccc4)cc3)-c1cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1]
["6068-96-8","n-propyl hydroperoxide","C(CC)OO","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Organic Peroxy Compounds",1,"No alert found",0,"No alert found",0,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Organic Peroxy Compounds",1,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["6098-45-9","n-benzoyloxy-2-acetylaminofluorene;hydroxylamine, n-acetyl-o-benzoyl-n-fluoren-2-yl-","c12-c3c(cc(N(C(C)=O)OC(=O)c4ccccc4)cc3)Cc1cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",{"$f":"IF(W963=\"No alert found\",0,1)","v":0},"No alert found",0,"Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",{"$f":"IF(AA963=\"No alert found\",0,1)","v":1},"No alert found",{"$f":"IF(AC963=\"No alert found\",0,1)","v":0},"Polycyclic Aromatic Hydrocarbons",{"$f":"IF(AE963=\"No alert found\",0,1)","v":1},"H-acceptor-path3-H-acceptor|Polycyclic Aromatic Hydrocarbons",{"$f":"IF(AG963=\"No alert found\",0,1)","v":1}]
["6098-46-0","n-benzoyloxy-n-methyl-4-aminoazobenzene","C(=O)(c1ccccc1)ON(C)c1ccc(N=Nc2ccccc2)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic azo",1,"Aromatic diazo (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aromatic diazo",1,"Aromatic diazo|H-acceptor-path3-H-acceptor",1]
["6109-97-3","3-amino-9-ethylcarbazole hydrochloride","c12-c3c(ccc(N)c3)N(CC)c1cccc2_Cl{-}_R","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"No alert found|SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons|Primary aromatic amine,hydroxyl amine and its derived esters",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["6111-78-0","11-methylbenz[a]anthracene;11-methylbenz(a)anthracene;benz(a)anthracene, 11-methyl-","c12c(c3c(cc4c(c(C)ccc4)c3)cc1)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Moderate Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1",1,"Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1]
["6149-33-3","4-amino-4'-nitrodiphenyl ether","HN{+}(H)(.Cl{-})c1ccc(Oc2ccc(N(=O)=O)cc2)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"1-phenoxy-benzene|Nitro-aromatic",1]
["6149-34-4","4-amino-n-(4-nitrophenyl)benzenamine;n-(4-nitrophenyl)-1,4-benzendiamine;4-(p-nitro)phenylaminoaniline;1,4-benzenediamine, n-(4-nitrophenyl)-","c1(Nc2ccc(N)cc2)ccc(N(=O)=O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Moderate Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Nitro-aromatic (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Nitro-aromatic|Primary aromatic amine,hydroxyl amine and its derived esters",1,"Nitro-aromatic|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["6151-25-3","quercetin dihydrate;4h-1-benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-, hydrate (1:2);4h-1-benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-, dihydrate","C1(O)C(=O)c2c(O)cc(O)cc2OC=1c1cc(O)c(O)cc1_O_O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones|No alert found",1,"Quercetin type flavonoids (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["6165-76-0","propargyl p-toluene sulfonate;2-propyn-1-ol, 4-methylbenzenesulfonate","c1(S(=O)(=O)OCC#C)ccc(C)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Sulfonates and Sulfates",1,"No alert found",0,"Benzenesulfonic ethers, methylation (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Sulfonates and Sulfates",1,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["6214-18-2","isobutyl benzenesulfonate","c1(S(=O)(=O)OCC(C)C)ccccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Sulfonates and Sulfates",1,"No alert found",0,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Sulfonates and Sulfates",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid|H-acceptor-path3-H-acceptor",1]
["6237-22-5","2-nitro-9-(dimethylaminopropylamino)acridine","HN{+}(.Cl{-})(c1c2c(ccc(N(=O)=O)c2)nc2c1cccc2)CCCN{+}(C)(C).Cl{-}","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 98(1,8-DNP6)","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition|SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons|Nitro-aromatic",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons|Nitro-aromatic",1]
["6237-24-7","3-nitro-9-(dimethylaminopropylamino)acridine;1,3-propanediamine, n,n-dimethyl-n'-(3-nitro-9-acridinyl)- (9ci)","c12c(c(NCCCN(C)C)c3c(cc(N(=O)=O)cc3)n1)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 98(1,8-DNP6)","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition|SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons|Nitro-aromatic",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons|Nitro-aromatic",1]
["6264-66-0","3,4,4'-triaminodiphenyl ether;4-(4-aminophenoxy)-1,2-benzenediamine;no chemical name in data base;4-(4-aminophenoxy)benzene-1,2-diamine;4-[(4-aminophenyl)oxy]benzene-1,2-diamine;1,2-benzenediamine, 4-(4-aminophenoxy)- (9ci)","c1(N)c(N)cc(Oc2ccc(N)cc2)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"1-phenoxy-benzene|H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["6268-09-03","1-hydroxy-2-methylanthraquinone","c12C(=O)c3c(C(=O)c1c(O)c(C)cc2)cccc3","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Alkyl phenols",1,"Quinones (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones",1,"Quinones",1,"H-acceptor-path3-H-acceptor|Quinones",1]
["6270-13-9","n,n-bis(2-hydroxyethyl)-2-naphthylamine","c12c(cc(N(CCO)CCO)cc1)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["6270-16-2","3-nitro-2-butanol;3-nitrobutan-2-ol","C(C)(O)C(C)N(=O)=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["6271-79-0","3,3'-dinitrobenzidine;3,3'-dinitro[1,1'-biphenyl]-4,4'-diamine;3,3'-dinitrobiphenyl-4,4'-diamine;(1,1'-biphenyl)-4,4'-diamine, 3,3'-dinitro- (9ci)","c1(-c2cc(N(=O)=O)c(N)cc2)cc(N(=O)=O)c(N)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Nitro-aromatic (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Nitro-aromatic|Primary aromatic amine,hydroxyl amine and its derived esters",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["6281-23-8","5-nitro-2-furanacrylic acid;1-(5-no2-2-furyl)-2-(cooh)ethylene;3-(5-nitro-2-furyl)acrylic acid;(2e)-3-(5-nitrofuran-2-yl)prop-2-enoic acid;2-propenoic acid,3-(5-nitro-2-furanyl)- (9ci)","C(=O)(O)C=CC1=CC=C(N(=O)=O)O1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Unsaturated heterocyclic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["6285-57-0","2-amino-6-nitrobenzothiazole;6-nitrobenzothiazol-2-amine;2-benzothiazolamine, 6-nitro-;6-nitro-1,3-benzothiazol-2-amine;benzothiazole, 2-amino-6-nitro- (8ci)","c12c(cc(N(=O)=O)cc1)SC(N)=N2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro|SN1 >> Nitrenium Ion formation >> Primary (unsaturated) heterocyclic amine",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Nitro-aromatic",1,"Nitro-aromatic",1]
["6312-87-4","n-(4-phenoxyphenyl)acetamide;acetamide, n-(4-phenoxyphenyl)-","c1(Oc2ccccc2)ccc(NC(C)=O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Moderate Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Aromatic N-acyl amine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aromatic N-acyl amine",1,"1-phenoxy-benzene|Aromatic N-acyl amine|H-acceptor-path3-H-acceptor",1]
["6325-54-8","7-(chloromethyl)benz[a]anthracene;benz(a)anthracene, 7-chloromethyl-","c12c(c(CCl)c3c(c4c(cccc4)cc3)c1)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition|SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1|SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides",1,"Aliphatic halogens (Genotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Aliphatic halogens|Polycyclic Aromatic Hydrocarbons",1,"Aliphatic halogen|Polycyclic Aromatic Hydrocarbons",1]
["6341-85-1","2-methyl-1,2,3,4-diepoxybutane;2,2'-bioxirane, 2-methyl- (9ci)","C1(C)(C2CO2)CO1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides",1,"Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Epoxides and aziridines",1,"Epoxides and aziridines|H-acceptor-path3-H-acceptor",1]
["6344-63-4","1-aminofluorene;9h-fluoren-1-amine;1-aminofluorine;9h-fluoren-1-amine (9ci)","c12-c3c(c(N)ccc3)Cc1cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Moderate Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Polycyclic Aromatic Hydrocarbons (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Polycyclic Aromatic Hydrocarbons|Primary aromatic amine,hydroxyl amine and its derived esters",1,"Polycyclic Aromatic Hydrocarbons|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["6344-66-7","3-aminofluorene;9h-fluoren-3-ylamine;9h-fluoren-3-amine (9ci)","c12-c3c(ccc(N)c3)Cc1cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Moderate Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Polycyclic Aromatic Hydrocarbons (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Polycyclic Aromatic Hydrocarbons|Primary aromatic amine,hydroxyl amine and its derived esters",1,"Polycyclic Aromatic Hydrocarbons|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["6358-23-2","2-(2,4-dinitroanilino)phenol;phenol, 2-((2,4-dinitrophenyl)amino)-","c1(Nc2c(O)cccc2)c(N(=O)=O)cc(N(=O)=O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["6358-53-8","2,5-dimethoxy-1-phenylazo-2-naphthol;1-[(2,5-dimethoxyphenyl)azo]-2-naphthol;2-naphthalenol, 1-[(2,5-dimethoxyphenyl)azo]-","C1(=O)C(=NNc2c(OC)ccc(OC)c2)c2c(C=C1)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones",1,"Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Hydrazine",1,"H-acceptor-path3-H-acceptor|Hydrazine",1]
["6367-36-8","t-butyl azidoacetate;acetic acid, azido-, 1,1-dimethylethyl ester","C(=O)(CN=N#N)OC(C)(C)C","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Azide and triazene groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Azide and triazene groups",1,"Azide and triazene groups|H-acceptor-path3-H-acceptor",1]
["6369-59-1","2,5-toluenediamine sulfate;2,5-diaminotoluene sulfate;toluenediamine sulfate, 2,5-;2-methyl-p-phenylenediamine sulphate;1,4-benzenediamine, 2-methyl-, sulfate;2-methylbenzene-1,4-diamine sulfate;2-methyl-1,4-benzenediamine sulfate","c1(N)c(C)cc(N)cc1_O=S(=O)(O)O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"No alert found|SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"No alert found",0,"No alert found|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["6373-74-6","c.i. acid orange 3","c1(Nc2cc(S(=O)(=O)O{-})c(Nc3ccccc3)cc2)c(N{+}(=O)O{-}.[Na]{+})cc(N(=O)=O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["6375-16-2","2-amino-4-acetylaminotoluene;n-(3-amino-4-methylphenyl)acetamide;acetamide, n-(3-amino-4-methylphenyl)-;p-acetotoluidide, 3'-amino-","c1(C)c(N)cc(NC(C)=O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Aromatic N-acyl amine (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aromatic N-acyl amine|Primary aromatic amine,hydroxyl amine and its derived esters",1,"Aromatic N-acyl amine|H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["6375-47-9","3'-amino-4'-methoxyacetanilide;acetamide, n-(3-amino-4-methoxyphenyl)-;p-acetanisidide, 3'-amino-;n-(3-amino-4-methoxyphenyl)acetamide","c1(OC)c(N)cc(NC(C)=O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Aromatic N-acyl amine (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aromatic N-acyl amine|Primary aromatic amine,hydroxyl amine and its derived esters",1,"Aromatic N-acyl amine|H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["6428-31-5","c.i. direct black 19","C1(S(=O)(=O)O{-}.[Na]{+})C(=NNc2ccc(N=Nc3c(N)cc(N)cc3)cc2)C(=O)c2c(N)c(N=Nc3ccc(N=Nc4c(N)cc(N)cc4)cc3)c(S(=O)(=O)O{-}.[Na]{+})cc2C=1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Specific Imine and Thione Derivatives|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN2|SN2 >> Diazonium ion formation|SN2 >> Diazonium ion formation >> Specific Imine and Thione Derivatives",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic azo|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Aromatic diazo (Genotox)|Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Specific Imine and Thione Derivatives|SN2|SN2 >> Diazonium ion formation|SN2 >> Diazonium ion formation >> Specific Imine and Thione Derivatives",1,"Aromatic diazo|Hydrazine",1,"Aromatic diazo|H-acceptor-path3-H-acceptor|Hydrazine",1]
["6449-35-0","c.i. direct blue 151, disodium salt","C1(S(=O)(=O)O{-}.[Na]{+})C(=NNc2c(OC)cc(-c3cc(OC)c(NN=C4C(=O)c5c(C(S(=O)(=O)O{-}.[Na]{+})=C4)cccc5)cc3)cc2)C(=O)c2c(cc(N)cc2)C=1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Specific Imine and Thione Derivatives|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN2|SN2 >> Diazonium ion formation|SN2 >> Diazonium ion formation >> Specific Imine and Thione Derivatives",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Specific Imine and Thione Derivatives|SN2|SN2 >> Diazonium ion formation|SN2 >> Diazonium ion formation >> Specific Imine and Thione Derivatives",1,"Hydrazine",1,"H-acceptor-path3-H-acceptor|Hydrazine",1]
["6456-78-6","6-chloro-8-quinolinecarboxylic acid","C(=O)(O)c1c2c(cc(Cl)c1)cccn2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Quinoline Derivatives|SN2 >> SN2 at an activated sp2 (aromatic) carbon atom|SN2 >> SN2 at an activated sp2 (aromatic) carbon atom >> Quinoline Derivatives",1,"No alert found",0,"Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Quinoline Derivatives|SN2 >> SN2 at an activated sp2 (aromatic) carbon atom|SN2 >> SN2 at an activated sp2 (aromatic) carbon atom >> Quinoline Derivatives",1,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["6471-49-4","c.i. pigment red 23;3-hydroxy-4-[(2-methoxy-5-nitrophenyl)azo]-n-(3-nitrophenyl)naphthalene-2-carboxamide;2-naphthalenecarboxamide, 3-hydroxy-4-[(2-methoxy-5-nitrophenyl)azo]-n-(3-nitrophenyl)-","C(=O)(C1C(=O)C(=NNc2c(OC)ccc(N(=O)=O)c2)c2c(cccc2)C=1)Nc1cc(N(=O)=O)ccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Hydrazine (Genotox)|Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Hydrazine|Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Hydrazine|Nitro-aromatic",1]
["6483-77-8","c.i. direct brown 79, trisodium salt","C(=O)(C1C(=O)C=CC(=NNc2ccc(-c3ccc(N=Nc4c(N)cc(N)c(N=Nc5c(S(=O)(=O)O{-}.[Na]{+})cc(S(=O)(=O)O{-}.[Na]{+})cc5)c4)cc3)cc2)C=1)O{-}.[Na]{+}","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinoneimine Derivatives|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Specific Imine and Thione Derivatives|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|Radical >> ROS formation after GSH depletion >> Quinoneimine Derivatives|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN2|SN2 >> Diazonium ion formation|SN2 >> Diazonium ion formation >> Specific Imine and Thione Derivatives",1,"Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated ketones|SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic azo|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"alpha,beta-unsaturated carbonyls (Genotox)|Aromatic diazo (Genotox)|Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinoneimine Derivatives|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Specific Imine and Thione Derivatives|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|Radical >> ROS formation after GSH depletion >> Quinoneimine Derivatives|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN2|SN2 >> Diazonium ion formation|SN2 >> Diazonium ion formation >> Specific Imine and Thione Derivatives",1,"alpha,beta-unsaturated carbonyls|Aromatic diazo|Hydrazine",1,"alpha,beta-unsaturated carbonyls|Aromatic diazo|H-acceptor-path3-H-acceptor|Hydrazine",1]
["6530-27-4","n-hydroxy-4-aminoazobenzene","c1(NNc2ccccc2)ccc(N=O)cc1_Cl{-}_R","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"No alert found|SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitroso",1,"Aromatic nitroso group (Genotox)|Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"Aromatic nitroso group|Hydrazine",1,"Aromatic nitroso group  |H-acceptor-path3-H-acceptor|Hydrazine",1]
["6558-78-7","n-butyl-n-nitrosourethane;carbamic acid, butylnitroso-, ethyl ester (8ci)(9ci);6558-78-7","C(=O)(N(CCCC)N=O)OCC","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2",1,"Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"Alkyl and aryl N-nitroso groups",1,"Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor",1]
["6610-08-08","2-nitrosonaphthalene;naphthalene, 2-nitroso-","c12c(cc(N=O)cc1)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitroso",1,"Aromatic nitroso group (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"Aromatic nitroso group",1,"Aromatic nitroso group  |H-acceptor-path3-H-acceptor",1]
["6637-88-3","c.i. direct orange 6;disodium 5-[[4'-[(2,6-diamino-3-methyl-5-sulphonatophenyl)azo]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]azo]salicylate;benzoic acid, 5-[[4'-[(2,6-diamino-3-methyl-5-sulfophenyl)azo]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]azo]-2-hydroxy-, disodium salt","C(=O)(C1C(=O)C=CC(=NNc2c(C)cc(-c3cc(C)c(N=Nc4c(N)c(S(=O)(=O)O{-}.[Na]{+})cc(C)c4N)cc3)cc2)C=1)O{-}.[Na]{+}","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinoneimine Derivatives|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Specific Imine and Thione Derivatives|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|Radical >> ROS formation after GSH depletion >> Quinoneimine Derivatives|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN2|SN2 >> Diazonium ion formation|SN2 >> Diazonium ion formation >> Specific Imine and Thione Derivatives",1,"Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated ketones",1,"alpha,beta-unsaturated carbonyls (Genotox)|Aromatic diazo (Genotox)|Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinoneimine Derivatives|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Specific Imine and Thione Derivatives|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Quinoneimine Derivatives|SN2|SN2 >> Diazonium ion formation|SN2 >> Diazonium ion formation >> Specific Imine and Thione Derivatives",1,"alpha,beta-unsaturated carbonyls|Aromatic diazo|Hydrazine",1,"alpha,beta-unsaturated carbonyls|Aromatic diazo|H-acceptor-path3-H-acceptor|Hydrazine",1]
["6795-23-9","aflatoxin m1;(6ar-cis)-2,3,6a,9a-tetrahydro-9a-hydroxy-4-methoxycyclopenta[c]furo[3',2':4,5]furo[2,3-h][1]benzopyran-1,11-dione;(6ar)-9a-hydroxy-4-methoxy-2,3,6a,9a-tetrahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromene-1,11-dione;(6ar-cis)-2,3,6a,9a-tetrahydro-9a-hydroxy-4-methoxycyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-1,11-dione;aflatoxin m<sub>1</sub>","C1(=O)C2C(=O)CCC=2c2c(c3C4(O)C=COC4Oc3cc2OC)O1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Generation of reactive oxygen species|Radical >> Generation of reactive oxygen species >> Coumarins|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Coumarins",1,"No alert found",0,"Coumarins and Furocoumarins (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Coumarins and Furocoumarins",1,"1,3-dialkoxy-benzene|Coumarins and Furocoumarins|H-acceptor-path3-H-acceptor",1]
["6810-26-0","n-hydroxy-4-aminobiphenyl;hydroxylamine, n-4-biphenylyl-","c1(-c2ccc(NO)cc2)ccccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> N-hydroxylamines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic N-hydroxylamines",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> N-hydroxylamines",1,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["6959-48-4","3-(chloromethyl)pyridine hydrochloride","c1(CCl)cccnc1_Cl{-}_R","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found|Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups",1,"No alert found|SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides",1,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found|Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups",1,"Aliphatic halogens",1,"Aliphatic halogen",1]
["7195-43-9","isophthalic diglycidyl ester;bis(2,3-epoxypropyl) isophthalate;bis(oxiran-2-ylmethyl) benzene-1,3-dicarboxylate;1,3-benzenedicarboxylic acid, bis(oxiranylmethyl) ester (9ci)","C(=O)(c1cc(C(=O)OCC2CO2)ccc1)OCC1CO1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides",1,"Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Epoxides and aziridines",1,"Epoxides and aziridines|H-acceptor-path3-H-acceptor",1]
["7258-52-8","2,3-dihydro-1h-cyclopenta[c]phenanthrene;1h-cyclopenta(c)phenanthrene, 2,3-dihydro-","c12c(c3c4c(ccc3cc1)cccc4)CCC2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1",1,"Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1]
["7364-09-02","2-chloro-3,3-dimethylacrolein","C(C)(C)=C(Cl)C=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Michael addition|Michael addition >> alpha, beta-unsaturated carabonyl compounds|Michael addition >> alpha, beta-unsaturated carabonyl compounds >> Alpha, Beta-Unsaturated Aldehydes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Alpha, Beta-Unsaturated Aldehydes|SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives",1,"No alert found",0,"alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Michael addition|Michael addition >> alpha, beta-unsaturated carabonyl compounds|Michael addition >> alpha, beta-unsaturated carabonyl compounds >> Alpha, Beta-Unsaturated Aldehydes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Alpha, Beta-Unsaturated Aldehydes|SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives",1,"alpha,beta-unsaturated carbonyls",1,"alpha,beta-unsaturated carbonyls",1]
["7570-37-8","4-amino-4'-methoxystilbene;benzenamine, 4-(2-(4-methoxyphenyl)ethenyl)-","c1(C=Cc2ccc(N)cc2)ccc(OC)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"Primary aromatic amine, hydroxyl amine and its derived esters",1]
["7696-62-0","p-(n-butoxy)nitrosobenzene;ether, butyl p-nitrosophenyl","c1(OCCCC)ccc(N=O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitroso",1,"Aromatic nitroso group (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"Aromatic nitroso group",1,"Aromatic nitroso group  |H-acceptor-path3-H-acceptor",1]
["7785-87-7","manganese sulfate;sulfuric acid, manganese(2++) salt (1:1);manganese sulphate;sulfuric acid, manganese(2+) salt (1:1);sulfuric acid, manganese (2+) salt;manganese(2+) sulfate","O=S1(=O)O{-}.[Mn]{2+}.O{-}1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 102","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["8001-35-2","toxaphene;toxaphene (cancelled in u.s.)","C1(=C)C(CCl)(CCl)C2(Cl)C(Cl)(Cl)C1(Cl)C(Cl)C2Cl","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation >> Vicinal Dihaloalkanes",1,"SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> 1,2-Dihaloalkanes|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides",1,"(Poly) Halogenated Cycloalkanes (Nongenotox)|Aliphatic halogens (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"No alert found",0,"Aliphatic halogens",1,"Aliphatic halogen",1]
["10031-22-8","lead(ii) bromide;lead dibromide;lead bromide (pbbr2);lead(2+) dibromide","Br{-}.[Pb]{2+}.Br{-}","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0]
["10159-53-2","phosphoramide mustard;phosphorodiamidic acid, n,n-bis(2-chloroethyl)-","C(Cl)CN(CCCl)P(N)(=O)O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Nitrogen Mustards",1,"SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> Mustards",1,"S or N mustard (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Nitrogen Mustards",1,"S or N mustard",1,"H-acceptor-path3-H-acceptor|S or N mustard",1]
["10353-99-8","5-nitroacenaphthylene;acenaphthylene, 5-nitro-","c1(N(=O)=O)c2c3c(C=Cc3ccc2)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"Nitro-aromatic",1]
["10567-95-0","5,7-dimethylbenz[c]acridine;benz(c)acridine, 5,7-dimethyl-","c1(C)c2c(c3c(c(C)c4c(cccc4)n3)c1)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition|SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Heterocyclic Polycyclic Aromatic Hydrocarbons",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons",1]
["13010-08-7","n-butyl-n'-nitro-n-nitrosoguanidine","C(N)(N(CCCC)N=O)=NN(=O)=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2",1,"Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"Alkyl and aryl N-nitroso groups",1,"Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor",1]
["13147-25-6","n-ethyl-n-(2-hydroxyethyl)nitrosamine;n-nitrosoethyl-2-hydroxyethylamine","C(O)CN(CC)N=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2",1,"Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"Alkyl and aryl N-nitroso groups",1,"Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor",1]
["13345-23-8","1-hydroxybenzo[a]pyrene;1-hydroxybenzo(a)pyrene","c1(O)c2c3c4c(c5c(cc4ccc3cc1)cccc5)cc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition|SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1",1,"Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1]
["13394-86-0","3,2'-dimethyl-4-aminobiphenyl","c1(-c2c(C)cccc2)cc(C)c(N)cc1_Cl{-}_R","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"No alert found|SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"Primary aromatic amine, hydroxyl amine and its derived esters",1]
["13820-41-2","diammonium tetrachloroplatinate","[Pt]{2+}_Cl_Cl_Cl_Cl","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0]
["14160-38-4","3,3'-di-tert-butyl-biphenyldiquinone-(2,5,2',5');(bi-1,4-cyclohexadien-1-yl)-3,3',6,6'-tetrone, 5,5'-di-tert-butyl-","C(C)(C)(C)C1C(=O)C(C2C(=O)C(C(C)(C)C)=CC(=O)C=2)=CC(=O)C=1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones",1,"Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated ketones|Michael addition >> Quinones and Quinone-type Chemicals|Michael addition >> Quinones and Quinone-type Chemicals >> Quinones",1,"Quinones (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones",1,"Quinones",1,"H-acceptor-path3-H-acceptor|Quinones",1]
["14191-22-1","2-nitrocarbazole;9h-carbazole, 2-nitro-","c12-c3c(cc(N(=O)=O)cc3)Nc1cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons|Nitro-aromatic",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons|Nitro-aromatic",1]
["14953-62-9","4(5)-nitro-5(4)-phenylimidazole","c1(C2=C(N(=O)=O)N=CN2)ccccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Unsaturated heterocyclic nitro",1,"Imidazole, benzimidazole (Nongenotox)|Nitro-aromatic (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["15254-64-5","2,4-dimethylphenanthrene;2,4-dimethylphenanthrene                         \";phenanthrene, 2,4-dimethyl-","c12c(c3c(C)cc(C)cc3cc1)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1",1,"Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1]
["16156-53-9","isobutyl methanesulfonate;methanesulfonic acid, 2-methylpropyl ester","C(C)(C)COS(C)(=O)=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Sulfonates and Sulfates",1,"SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Sulfonates",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Sulfonates and Sulfates",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid|H-acceptor-path3-H-acceptor",1]
["16495-13-9","(s)-benzyl glycidyl ether;oxirane, 2-[(phenylmethoxy)methyl]-, (2s)-;propane, 1-(benzyloxy)-2,3-epoxy-, (s)- (8ci)","c1(COCC2CO2)ccccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes|SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides",1,"Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Epoxides and aziridines",1,"Epoxides and aziridines|H-acceptor-path3-H-acceptor",1]
["16664-45-2","1,3-dimethylphenanthrene;phenanthrene, 1,3-dimethyl-","c12c(c3c(c(C)cc(C)c3)cc1)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1",1,"Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1]
["17024-17-8","1-nitrophenanthrene;phenanthrene, 1-nitro-","c1(N(=O)=O)c2c(c3c(cccc3)cc2)ccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Nitro-aromatic|Polycyclic Aromatic Hydrocarbons",1,"Nitro-aromatic|Polycyclic Aromatic Hydrocarbons",1]
["17526-33-9","12-acetoxymethylbenz[a]anthracene;benz(a)anthracene-12-methanol, acetate","c12c(c3c(COC(C)=O)c4c(cc3cc1)cccc4)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Specific Acetate Esters|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN1 >> Carbenium ion formation >> Specific Acetate Esters|SN2|SN2 >> Acylating agents|SN2 >> Acylating agents >> Specific Acetate Esters|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Specific Acetate Esters",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition|SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1",1,"Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Specific Acetate Esters|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN1 >> Carbenium ion formation >> Specific Acetate Esters|SN2|SN2 >> Acylating agents|SN2 >> Acylating agents >> Specific Acetate Esters|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Specific Acetate Esters",1,"Polycyclic Aromatic Hydrocarbons",1,"H-acceptor-path3-H-acceptor|Polycyclic Aromatic Hydrocarbons",1]
["17557-23-2","neopentyl glycol diglycidyl ether;1,3-bis(2,3-epoxypropoxy)-2,2-dimethylpropane;oxirane, 2,2’-[(2,2-dimethyl-1,3-propanediyl)bis(oxymethylene)]bis-;oxirane, 2,2'-[(2,2-dimethyl-1,3-propanediyl)bis(oxymethylene)]bis-;oxirane, 2,2'- (2,2-dimethyl-1,3-propanediyl)bis(oxymethylene) bis-;propane, 1,3-bis(2,3-epoxypropoxy)-2,2-dimethyl-;oxirane, 2,2'-Х(2,2-dimethyl-1,3-propanediyl)bis(oxymethylene)еbis-;2,2'-[(2,2-dimethylpropane-1,3-diyl)bis(oxymethylene)]dioxirane;oxirane, 2,2'-((2,2-dimethyl-1,3-propanediyl)bis(oxymethylene))bis-;17557-23-2","C(C)(C)(COCC1CO1)COCC1CO1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides",1,"Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Epoxides and aziridines",1,"Epoxides and aziridines|H-acceptor-path3-H-acceptor",1]
["18024-11-8","1,4,9-trimethylcarbazole;9h-carbazole, 1,4,9-trimethyl- (9ci)","c12-c3c(c(C)ccc3C)N(C)c1cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Heterocyclic Polycyclic Aromatic Hydrocarbons",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons",1]
["19322-27-1","4-hydroxy-5-methyl-3(2h)-furanone;4-hydroxy-5-methylfuran-3(2h)-one;3(2h)-furanone, 4-hydroxy-5-methyl-","C1(=O)C(O)=C(C)OC1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"alpha,beta-unsaturated carbonyls",1,"alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor",1]
["19387-91-8","tinidazole;1-[2-(ethylsulfonyl)ethyl]-2-methyl-5-nitro-1h-imidazole;1h-imidazole, 1-[2-(ethylsulfonyl)ethyl]-2-methyl-5-nitro-;1h-imidazole, 1-(2-(ethylsulfonyl)ethyl)-2-methyl-5-nitro-;19387-91-8","C1(N(=O)=O)=CN=C(C)N1CCS(=O)(=O)CC","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Unsaturated heterocyclic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["20324-66-7","5-hydroxyemodin","c12C(=O)c3c(C(=O)c1c(O)c(O)cc2O)cc(C)cc3O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones",1,"Quinones (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones",1,"Quinones",1,"H-acceptor-path3-H-acceptor|Quinones",1]
["20780-53-4","(r)-styrene oxide;oxirane, 2-phenyl-, (2r)-;benzene, (epoxyethyl)-, (r)-;oxirane, phenyl-, (r)-","c1(C2CO2)ccccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes|SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides",1,"Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Epoxides and aziridines",1,"Epoxides and aziridines",1]
["20983-67-9","4-chloro-n-(4-nitrophenyl)benzenamine;benzenamine, 4-chloro-n-(4-nitrophenyl)-","c1(Nc2ccc(Cl)cc2)ccc(N(=O)=O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Nitro-aromatic",1,"Nitro-aromatic",1]
["21919-05-1","5-aziridino-2,4-dinitrobenzamide;5-(1-aziridinyl)-2,4-no2benzamide;benzamide, 5-(1-aziridinyl)-2,4-dinitro-","C(N)(=O)c1c(N(=O)=O)cc(N(=O)=O)c(N2CC2)c1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro|SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Aziridines",1,"Epoxides and aziridines (Genotox)|Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Epoxides and aziridines|Nitro-aromatic",1,"Epoxides and aziridines|H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["22216-66-6","bis(p-methoxyphenyl)selenide","c1([Se]c2ccc(OC)cc2)ccc(OC)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0]
["23045-12-7","9-amino-2-methylacridine;acridine, 9-amino-2-methyl-","c12c(c(N)c3c(ccc(C)c3)n1)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Heterocyclic Polycyclic Aromatic Hydrocarbons|Primary aromatic amine,hydroxyl amine and its derived esters",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["23484-62-0","1,1'-dimethyl-2,2'-bipyridinium diiodide","c1(-c2ccccn{+}2(C).I{-})ccccn{+}1(C).I{-}","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["23590-73-0","pyrido[2,3-d]pyridazin-8(7h)-one hydrazone;pyrido(2,3-d)pyridazin-8(7h)-one hydrazone","c1(NN)c2c(cccn2)cnn1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Nucleophilic addition|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization >> Hydrazine Derivatives|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Hydrazine Derivatives",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Hydrazine",1,"Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Nucleophilic addition|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization >> Hydrazine Derivatives|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Hydrazine Derivatives",1,"Hydrazine",1,"H-acceptor-path3-H-acceptor|Hydrazine",1]
["24245-98-5","4-nitro-2,1-benzisothiazole","C1(N(=O)=O)C2C(C=CC=1)=NSC=2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"No alert found",0,"No alert found",0,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"No alert found",0,"No alert found",0]
["24463-15-8","1-hydroxymethylpyrene","c12c3c4c(c(CO)ccc4ccc3ccc1)cc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"No alert found",0,"Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1]
["24892-60-2","p-carboxybenzene diazonium hydrogen sulfate","C(=O)(O)c1ccc(N{+}(#N).O{-}S(=O)(=O)O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 102","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Free radical formation|Radical >> Free radical formation >> Arenediazonium Salts|SN2|SN2 >> Carbenium Ion Formation|SN2 >> Carbenium Ion Formation >> Arenediazonium Salts",1,"No alert found",0,"No alert found",0,"Radical|Radical >> Free radical formation|Radical >> Free radical formation >> Arenediazonium Salts|SN2|SN2 >> Carbenium Ion Formation|SN2 >> Carbenium Ion Formation >> Arenediazonium Salts",1,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["25212-88-8","eudragit l 30d","C(=O)(O)C(=C)C_C(=O)(C=C)OCC","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated esters|No alert found",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["25316-40-9","adriamycin hydrochloride","c12C(=O)c3c(C(=O)c1c(O)c1c(c2O)C(OC2CC(N)C(O)C(C)O2)CC(O)(C(=O)CO)C1)cccc3OC_Cl{-}_R","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|No alert found|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Alkyl phenols|No alert found",1,"No alert found|Quinones (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|No alert found|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones",1,"No alert found|Quinones",1,"H-acceptor-path3-H-acceptor|No alert found|Quinones",1]
["26541-56-0","n-acetoxy-4-(acetylamino)biphenyl;acetamide, n-(acetyloxy)-n-(1,1'-biphenyl)-4-yl- (9ci)","c1(-c2ccc(N(C(C)=O)OC(C)=O)cc2)ccccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> SN2 at Nitrogen Atom|SN2 >> SN2 at Nitrogen Atom >> N-acetoxyamines",1,"No alert found",0,"No alert found",0,"SN2|SN2 >> SN2 at Nitrogen Atom|SN2 >> SN2 at Nitrogen Atom >> N-acetoxyamines",1,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["27093-62-5","n-methyldibenzo[c,g]carbazole;7h-dibenzo(c,g)carbazole, n-methyl-","c12-c3c4c(ccc3N(C)c1ccc1c2cccc1)cccc4","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Heterocyclic Polycyclic Aromatic Hydrocarbons",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons",1]
["27729-95-9","4-methoxychalcone oxide;propiophenone, 2,3-epoxy-3-(p-methoxyphenyl)-, trans-","c1(C(=O)C2C(c3ccc(OC)cc3)O2)ccccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides",1,"Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Epoxides and aziridines",1,"Epoxides and aziridines|H-acceptor-path3-H-acceptor",1]
["28564-83-2","2,3-dihydro-3,5-dihydroxy-6-methyl-4h-pyran-4-one;4h-pyran-4-one, 2,3-dihydro-3,5-dihydroxy-6-methyl-","C1(=O)C(O)=C(C)OCC1O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"alpha,beta-unsaturated carbonyls",1,"alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor",1]
["29676-95-7","1,4-dihydro-1-methyl-7-(2-(5-nitro-2-furyl)vinyl)-4-oxo-1,8-naphthyridine-3-carboxylic;1-methyl-1,4-dihydro-7-[2-(5-nitrofuryl)vinyl]-4-oxo-1,8-naphthyridine-3-carboxylate, potassium salt","C(=O)(C1C(=O)c2c(N(C)C=1)nc(C=CC1=CC=C(N(=O)=O)O1)cc2)O{-}.K{+}","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Unsaturated heterocyclic nitro",1,"alpha,beta-unsaturated carbonyls (Genotox)|Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"alpha,beta-unsaturated carbonyls|Nitro-aromatic",1,"alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["29852-26-4","5-chloromethylbenzo[a]pyrene;benzo(a)pyrene, 5-(chloromethyl)-","c12c(c3c4c(c(CCl)cc5c4c(ccc5)cc3)c1)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition|SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1|SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides",1,"Aliphatic halogens (Genotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Aliphatic halogens|Polycyclic Aromatic Hydrocarbons",1,"Aliphatic halogen|Polycyclic Aromatic Hydrocarbons",1]
["31383-81-0","3,3'-di(methoxycarbonyl)-4,4'-diaminodiphenylmethane;dimethyl 5,5'-methylenedianthranilate;benzoic acid, 3,3’-methylenebis[6-amino-, dimethyl ester;benzoic acid, 3,3'-methylenebis[6-amino-, dimethyl ester;benzoic acid, 3,3 -methylenebis[6-amino-, dimethyl ester;benzoic acid, 3,3'-methylenebis 6-amino-, dimethyl ester;benzoic acid, 3,3'-methylenebis(6-amino-, dimethyl ester;anthranilic acid, 5,5'-methylenedi-, dimethyl ester;dimethyl 3,3'-methanediylbis(6-aminobenzoate);benzoic acid, 3,3'-methylenebis(6-amino-, 1,1'-dimethyl ester","C(=O)(c1c(N)ccc(Cc2cc(C(=O)OC)c(N)cc2)c1)OC","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["31464-26-3","4-[n-(beta-cyanoethyl)-n-methylamino]azobenzene;propionitrile, 3-(n-methyl-p-(phenylazo)anilino)-","c1(N=Nc2ccccc2)ccc(N(C)CCC#N)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic azo|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine",1,"Aromatic diazo (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aromatic diazo",1,"Aromatic diazo|H-acceptor-path3-H-acceptor",1]
["32818-80-7","(methylnitroamino)methanol","C(O)N(C)N(=O)=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Aliphatic N-Nitro",1,"Aliphatic N-nitro group (Genotox)|N-methylol derivatives (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aliphatic N-nitro group|N-methylol derivatives",1,"Aliphatic N-nitro group|H-acceptor-path3-H-acceptor|N-methylol derivatives",1]
["33611-88-0","1,2-dinitrofluoranthene;fluoranthene, 1,2-dinitro-","c1(N(=O)=O)c(N(=O)=O)c2c3c(c4c2c(ccc4)c1)cccc3","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic|Polycyclic Aromatic Hydrocarbons",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic|Polycyclic Aromatic Hydrocarbons",1]
["34424-65-2","4-hydroxypentenal;hopental4;pentenal, 4-hydroxy-","C(=O)C=CC(C)O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 104","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Michael addition|Michael addition >> alpha, beta-unsaturated carabonyl compounds|Michael addition >> alpha, beta-unsaturated carabonyl compounds >> Alpha, Beta-Unsaturated Aldehydes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Alpha, Beta-Unsaturated Aldehydes",1,"Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated aldehydes",1,"alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Michael addition|Michael addition >> alpha, beta-unsaturated carabonyl compounds|Michael addition >> alpha, beta-unsaturated carabonyl compounds >> Alpha, Beta-Unsaturated Aldehydes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Alpha, Beta-Unsaturated Aldehydes",1,"alpha,beta-unsaturated carbonyls",1,"alpha,beta-unsaturated carbonyls",1]
["36164-42-8","7-acetylaminoquinoline;acetamide, n-7-quinolyl-","c12c(cc(NC(C)=O)cc1)nccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Moderate Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Aromatic N-acyl amine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aromatic N-acyl amine",1,"Aromatic N-acyl amine|H-acceptor-path3-H-acceptor",1]
["37841-91-1","isovelleral;(1as,3as,6as,6br)-3a,4,5,6,6a,6b-hexahydro-5,5,6b-trimethylcycloprop[e]indene-1a,2(1h)-dicarboxaldehyde;cycloprop(e)indene-1a,2(1h)-dicarboxaldehyde, 3a,4,5,6,6a,6b-hexahydro-5,5,6b-trimethyl-, (1as-(1a-alpha,3a-beta,6a-beta,6b-alpha))-;7-marasmene-5,14-dial","C1(C=O)C2(C=O)C(C)(C3C(C=1)CC(C)(C)C3)C2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated aldehydes|Schiff base formers|Schiff base formers >> Direct Acting Schiff Base Formers|Schiff base formers >> Direct Acting Schiff Base Formers >> Mono aldehydes",1,"Simple aldehyde (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Simple aldehyde",1,"H-acceptor-path3-H-acceptor|Simple aldehyde",1]
["38134-58-6","2-chloroethyl-s-carbamoylglutathione;glycine, n-(s-(((2-chloroethyl)amino)carbonyl)-n-l-gamma-glutamyl-l-cysteinyl)-","C(=O)(O)C(N)CCC(=O)NC(C(=O)NCC(=O)O)CSC(=O)NCCCl","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Nitrogen Mustards",1,"SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> Mustards",1,"Alkyl carbamate and thiocarbamate (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Alkyl carbamate and thiocarbamate",1,"Alkyl carbamate and thiocarbamate|H-acceptor-path3-H-acceptor",1]
["38915-28-5","icr 340","c12c(c(NCCCN{+}(.Cl{-})(CCCl)CC)c3c(cc(Cl)cc3)n1)n{+}(.Cl{-})c(OC)cc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Nitrogen Mustards",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition|SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> Mustards",1,"Aliphatic halogens (Genotox)|Halogenated benzene (Nongenotox)|Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Nitrogen Mustards",1,"Aliphatic halogens|Heterocyclic Polycyclic Aromatic Hydrocarbons",1,"Aliphatic halogen|H-acceptor-path3-H-acceptor|Heterocyclic Polycyclic Aromatic Hydrocarbons",1]
["38915-58-1","icr 395","c12c(c3c(c(NCCCNCCCl)c4c(cccc4)n3)cc1)nccc2_Cl{-}_Cl{-}_R_R","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found|SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Nitrogen Mustards",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition|No alert found|SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> Mustards",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found|SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Nitrogen Mustards",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons",1,"H-acceptor-path3-H-acceptor|Heterocyclic Polycyclic Aromatic Hydrocarbons",1]
["39638-32-9","bis(2-chloroisopropyl) ether;bis(2-chloroisopropyl)ether;propane, 2,2'-oxybis 2-chloro-;propane, 2,2'-oxybis(2-chloro-;2,2'-oxybis[2-chloropropane];propane, 2,2'-oxybis[2-chloro-;2,2'-oxybis(2-chloropropane)","C(C)(C)(Cl)OC(C)(C)Cl","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Alpha-Haloethers|SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alpha-Haloethers",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Alpha halo ethers (including alpha halo thioethers)",1,"No alert found",0,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Alpha-Haloethers|SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alpha-Haloethers",1,"No alert found",0,"No alert found",0]
["41069-00-5","4'-nitrochalcone oxide;propiophenone, 2,3-epoxy-4'-nitro-3-phenyl-, trans-","c1(C(=O)C2C(c3ccccc3)O2)ccc(N(=O)=O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes|SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro|SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides",1,"Epoxides and aziridines (Genotox)|Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Epoxides and aziridines|Nitro-aromatic",1,"Epoxides and aziridines|H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["41533-75-9","3-chloro-7-nitro-1,2-benzisothiazole;1,2-benzisothiazole, 3-chloro-7-nitro-","C1(Cl)c2c(c(N(=O)=O)ccc2)SN=1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Nitro-aromatic",1,"Nitro-aromatic",1]
["43000-65-3","homo-azasteroidal ester of p-bis(2-chloroethyl)aminophenyl acetic acid;17a-aza-d-homoandrostan-17-one, 3-(((4-(bis(2-chloroethyl)amino)phenyl)acetyl)oxy)-, (3-beta,5-alpha)-","C12(C)C(C3C(C4(C)C(CC(OC(=O)Cc5ccc(N(CCCl)CCCl)cc5)CC4)CC3)CC1)CCC(=O)N2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Nitrogen Mustards",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine|SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> Mustards",1,"S or N mustard (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"S or N mustard",1,"H-acceptor-path3-H-acceptor|S or N mustard",1]
["50618-02-5","trans-anethole oxide;(2r,3r)-2-(4-methoxyphenyl)-3-methyl-oxirane","c1(C2C(C)O2)ccc(OC)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides",1,"Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Epoxides and aziridines",1,"Epoxides and aziridines",1]
["51118-04-8","2,4',6,6'-tetranitro-2,4'-azoxytoluene","c1(N{-}N{+}(=O)c2cc(N(=O)=O)c(C)c(N(=O)=O)c2)c(C)c(N(=O)=O)cc(N(=O)=O)c1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"Nitro-aromatic",1]
["51856-71-4","2,4',6,6'-tetranitro-2',4-azoxytoluene","c1(N{-}N{+}(=O)c2cc(N(=O)=O)c(C)c(N(=O)=O)c2)c(C)c(N(=O)=O)cc(N(=O)=O)c1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"Nitro-aromatic",1]
["51868-46-3","c.i. disperse blue 373;n-[2-[(2-bromo-4,6-dinitrophenyl)azo]-5-(diallylamino)-4-methoxyphenyl]acetamide;acetamide, n-[2-[(2-bromo-4,6-dinitrophenyl)azo]-5-(di-2-propenylamino)-4-methoxyphenyl]-;n-{2-[(2-bromo-4,6-dinitrophenyl)diazenyl]-5-(diprop-2-en-1-ylamino)-4-methoxyphenyl}acetamide;acetamide, n-(2-(2-(2-bromo-4,6-dinitrophenyl)diazenyl)-5-(di-2-propen-1-ylamino)-4-methoxyphenyl)-","c1(Br)c(N=Nc2c(NC(C)=O)cc(N(CC=C)CC=C)c(OC)c2)c(N(=O)=O)cc(N(=O)=O)c1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine",1,"Aromatic diazo (Genotox)|Aromatic N-acyl amine (Genotox)|Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Aromatic diazo|Aromatic N-acyl amine|Nitro-aromatic",1,"Aromatic diazo|Aromatic N-acyl amine|H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["52411-33-3","cynacure;2,2'-(ethylenedithio)dianiline;benzenamine, 2,2’-[1,2-ethanediylbis(thio)]bis-;benzenamine, 2,2'-[1,2-ethanediylbis(thio)]bis-;2,2'-(ethane-1,2-diyldisulfanediyl)dianiline;benzenamine, 2,2'- 1,2-ethanediylbis(thio) bis-;benzenamine, 2,2'-Х1,2-ethanediylbis(thio)еbis-;aniline, 2,2'-(ethylenedithio)di-;benzenamine, 2,2'-(1,2-ethanediylbis(thio))bis-","c1(SCCSc2c(N)cccc2)c(N)cccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"Primary aromatic amine, hydroxyl amine and its derived esters",1]
["53175-28-3","2-chlorocrotonaldehyde;2-butenal, 2-chloro-;2-chloro-2-butenal;2-chlorobut-2-enal;2-butenal, 2-chloro- (9ci)","C(Cl)(C=O)=CC","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Michael addition|Michael addition >> alpha, beta-unsaturated carabonyl compounds|Michael addition >> alpha, beta-unsaturated carabonyl compounds >> Alpha, Beta-Unsaturated Aldehydes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Alpha, Beta-Unsaturated Aldehydes|SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives",1,"No alert found",0,"alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Michael addition|Michael addition >> alpha, beta-unsaturated carabonyl compounds|Michael addition >> alpha, beta-unsaturated carabonyl compounds >> Alpha, Beta-Unsaturated Aldehydes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Alpha, Beta-Unsaturated Aldehydes|SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives",1,"alpha,beta-unsaturated carbonyls",1,"alpha,beta-unsaturated carbonyls",1]
["53340-16-2","nile blue 690 perchlorate","c12c(c3c(c(N)c1)cccc3)nc1c(cc(N(CC)CC)cc1)o{+}2.Cl{-}","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine",1,"Aromatic mono-and dialkylamine (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Aromatic mono-and dialkylamine|Primary aromatic amine,hydroxyl amine and its derived esters",1,"Aromatic mono- and dialkylamine|H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["54455-37-7","n-(chloromethyl)-4-nitrophthalimide","C1(=O)c2c(C(=O)N1CCl)cc(N(=O)=O)cc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Aliphatic halogens (Genotox)|Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Aliphatic halogens|Nitro-aromatic",1,"Aliphatic halogen|H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["54897-62-0","n-ethyl-n-(4-hydroxybutyl)nitrosamine","C(O)CCCN(CC)N=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2",1,"Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"Alkyl and aryl N-nitroso groups",1,"Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor",1]
["54992-23-3","sodium nifurstyrenate","C(=O)(c1ccc(C=CC2=CC=C(N(=O)=O)O2)cc1)O{-}.[Na]{+}","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Unsaturated heterocyclic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["55400-87-8","dibenz[a,h]anthracene-5,6:12,13-bisepoxide","c12c(c3c(c4c1cc1c(C5C(=C6C=CC=CC16)O5)c4)cccc3)O2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1|SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides",1,"Epoxides and aziridines (Genotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Epoxides and aziridines|Polycyclic Aromatic Hydrocarbons",1,"Epoxides and aziridines|Polycyclic Aromatic Hydrocarbons",1]
["55557-02-3","n-nitrosoguvacoline;methyl 1-nitroso-1,2,5,6-tetrahydropyridine-3-carboxylate;nicotinic acid, 1,2,5,6-tetrahydro-1-nitroso-, methyl ester","C(=O)(C1=CCCN(N=O)C1)OC","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated esters|SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2",1,"Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"Alkyl and aryl N-nitroso groups",1,"Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor",1]
["56413-75-3","o-nitrophenylhydrazine hydrochloride","c1(NN)c(N(=O)=O)cccc1_Cl{-}_R","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found|Nucleophilic addition|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization >> Hydrazine Derivatives|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Hydrazine Derivatives|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"No alert found|SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Hydrazine|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Hydrazine (Genotox)|Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found|Nucleophilic addition|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization >> Hydrazine Derivatives|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Hydrazine Derivatives|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Hydrazine|Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Hydrazine|Nitro-aromatic",1]
["57011-48-0","1,3-diazido-2-propanol","C(O)(CN=N#N)CN=N#N","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Azide and triazene groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Azide and triazene groups",1,"Azide and triazene groups|H-acceptor-path3-H-acceptor",1]
["57491-68-6","4,4'-methylenebis(2-aminophenyl sulfide);2,2'-[methylenebis(thio)]dianiline;benzenamine, 2,2'-[methylenebis(thio)]bis-;2,2'-(methanediyldisulfanediyl)dianiline;benzenamine, 2,2'-(methylenebis(thio))bis-","c1(SCSc2c(N)cccc2)c(N)cccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"Primary aromatic amine, hydroxyl amine and its derived esters",1]
["58718-48-2","1,9-dinitrophenazine","c12c(c(N(=O)=O)ccc1)nc1c(cccc1N(=O)=O)n2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons|Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Heterocyclic Polycyclic Aromatic Hydrocarbons|Nitro-aromatic",1]
["59283-76-0","2-hydroxylamino-4,6-dinitrotoluene;benzenamine, n-hydroxy-2-methyl-3,5-dinitro-;2,4-dinitro-6-hydroxyaminotoluene","c1(NO)c(C)c(N(=O)=O)cc(N(=O)=O)c1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> N-hydroxylamines|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic N-hydroxylamines|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> N-hydroxylamines|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic|Primary aromatic amine,hydroxyl amine and its derived esters",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["59820-43-8","hc yellow no. 4;hc yellow 4;ethanol, 2-[[2-(2-hydroxyethoxy)-4-nitrophenyl]amino]-;n, o-di(hydroxyethyl)-2-amino-5-nitrophenol;2-({2-[(2-hydroxyethyl)amino]-5-nitrophenyl}oxy)ethanol;ethanol, 2-((2-(2-hydroxyethoxy)-4-nitrophenyl)amino)-","c1(NCCO)c(OCCO)cc(N(=O)=O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro|SN1 >> Nitrenium Ion formation >> Secondary aromatic amine",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["60504-57-6","1-deoxypyrromycin;aklavin;1-naphthacenecarboxylic acid, 2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7-trihydroxy-6,11-dioxo-4-((2,3,6-trideoxy-3-(dimethylamino)-alpha-l-lyxo-hexapyranosyl)oxy)-, methyl ester, (1r-(1-alpha,2-beta,4-beta))-","c12C(=O)c3c(C(=O)c1c(O)c1c(C(C(=O)OC)C(O)(CC)CC1OC1CC(N(C)C)C(O)C(C)O1)c2)c(O)ccc3","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 102","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones",1,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"Quinones (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones",1,"Quinones",1,"H-acceptor-path3-H-acceptor|Quinones",1]
["60657-25-2","benzo[a]pyrene cis-7,8-dihydrodiol;benzo(a)pyrene, 7,8-dihydro-7,8-dihydroxy-, (z)-","c12c3c4c(c5c(C=CC(O)C5O)cc4ccc3ccc1)cc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"No alert found",0,"Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1,"H-acceptor-path3-H-acceptor|Polycyclic Aromatic Hydrocarbons",1]
["61203-01-8","methyl-1-bromovinyl ketone","C(C)(=O)C(=C)Br","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives",1,"No alert found",0,"alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives",1,"alpha,beta-unsaturated carbonyls",1,"alpha,beta-unsaturated carbonyls",1]
["61734-86-9","4-amyl-n-(4-hydroxybutyl)nitrosamine;1-butanol, 4-(pentylnitrosamino)-","C(CCCC)N(CCCCO)N=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2",1,"Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"Alkyl and aryl N-nitroso groups",1,"Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor",1]
["62640-14-6","chloromycorrhizin a","C(Cl)(C1C(=O)C2(O)C3(C(=O)C=1Cl)C(C(C)(C)O2)C3)=CC","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives",1,"No alert found",0,"alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives",1,"alpha,beta-unsaturated carbonyls",1,"alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor|Oxolane",1]
["63019-40-9","4-hydroxychrysene","c12c(c3c(c4c(O)cccc4cc3)cc1)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1",1,"Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1]
["63521-85-7","4'-deoxydoxorubicin","c12C(=O)c3c(C(=O)c1c(O)c1c(c2O)C(OC2CC(N)CC(C)O2)CC(O)(C(=O)CO)C1)cccc3OC_Cl{-}_R","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|No alert found|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Alkyl phenols|No alert found",1,"No alert found|Quinones (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|No alert found|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones",1,"No alert found|Quinones",1,"H-acceptor-path3-H-acceptor|No alert found|Quinones",1]
["63710-10-1","marcellomycin;1-naphthacenecarboxylic acid, 4-((o-2,6-dideoxy-alpha-l-lyxo-hexopyranosyl-(1-4)-o-2,6-dideoxy-alpha-l-lyxo-hexopyranosyl-(1-4)-2,3,6-trideoxy-3-(dimethylamino)-alpha-l-lyxo-hexopyranosyl)oxy)-2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7,10-tetrahydroxy-6,11-diox","c12C(=O)c3c(C(=O)c1c(O)c1c(C(C(=O)OC)C(O)(CC)CC1OC1CC(N(C)C)C(OC4CC(O)C(OC5CC(O)C(O)C(C)O5)C(C)O4)C(C)O1)c2)c(O)ccc3O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 102","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones|SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"Quinones (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones",1,"Quinones",1,"H-acceptor-path3-H-acceptor|Quinones",1]
["64188-64-3","n-(phenylmethyl)phenanthrene 9,10-imine;1h-phenanthro(9,10-b)azirine, 1a,9b-dihydro-1-benzyl-","c12-c3c(C4C(c1cccc2)N4Cc1ccccc1)cccc3","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes|SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Aziridines",1,"Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Epoxides and aziridines",1,"Epoxides and aziridines",1]
["64201-68-9","2-formylamino-4-(4-nitrophenyl)thiazole","C1(c2ccc(N(=O)=O)cc2)=CSC(NC=O)=N1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Acylation|Acylation >> P450 Mediated Activation to Isocyanates or Isothiocyanates|Acylation >> P450 Mediated Activation to Isocyanates or Isothiocyanates >> Formamides|SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Aromatic N-acyl amine (Genotox)|Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aromatic N-acyl amine|Nitro-aromatic",1,"Aromatic N-acyl amine|H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["64920-32-7","trans-3,4-dihydro-3,4-dihydroxychrysene;chrysene-3,4-diol, 3,4-dihydro-, trans-","c12c(c3c(c4c(C=CC(O)C4O)cc3)cc1)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1",1,"Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1,"H-acceptor-path3-H-acceptor|Polycyclic Aromatic Hydrocarbons",1]
["66267-19-4","trans-dibenz[a,h]anthracene-3,4-dihydrodiol;dibenz(a,h)anthracene, 3,4-dihydro-3,4-dihydroxy-, (e)-","c12c(c3c(C(O)C(O)C=C3)cc1)cc1c(c3c(cccc3)cc1)c2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1",1,"Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1,"H-acceptor-path3-H-acceptor|Polycyclic Aromatic Hydrocarbons",1]
["67019-28-7","n-(2,1-benzisothiazol-3-yl)benzamide","C12C(=C(NC(=O)c3ccccc3)SN=1)C=CC=C2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["67508-87-6","n,n-dimethyldaunorubicin","R_c12C(=O)c3c(C(=O)c1c(O)c1c(c2)CC(O)(C(C)=O)CC1OC1CC(N(C)C)C(O)C(C)O1)c(OC)ccc3O_Cl{-}","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 102","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|No alert found|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones|No alert found|SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"Quinones (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|No alert found|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones",1,"Quinones",1,"H-acceptor-path3-H-acceptor|Quinones",1]
["68162-37-8","alpha,5-dinitro-2-furanacrylic acid, methyl ester;1-(5-no2-2-furyl)-2-no2-2-coome ethylene;2-propenoic acid, 2-nitro-3-(5-nitro-2-furanyl)-, methyl ester","C(=O)(C(=CC1=CC=C(N(=O)=O)O1)N(=O)=O)OC","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Moderate Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Unsaturated heterocyclic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["68641-49-6","bis(2-oxo-3-oxazolidinyl)phosphinic chloride;phosphinic chloride, bis(2-oxo-3-oxazolidinyl)-","C1(=O)N(P(=O)(Cl)N2C(=O)OCC2)CCO1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["69527-46-4","((5-nitro-2-furanyl)methylene)propanedinitrile","C(#N)C(C#N)=CC1=CC=C(N(=O)=O)O1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Unsaturated heterocyclic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["70021-99-7","1-nitrobenzo[a]pyrene;benzo(a)pyrene, 1-nitro-","c1(N(=O)=O)c2c3c4c(c5c(cc4ccc3cc1)cccc5)cc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 98(1,8-DNP6)","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition|SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Nitro-aromatic|Polycyclic Aromatic Hydrocarbons",1,"Nitro-aromatic|Polycyclic Aromatic Hydrocarbons",1]
["70987-78-9","(s)-glycidyl tosylate;oxiranemethanol,4methylbenzenesulfonate,(s);oxiranemethanol, 4-methylbenzenesulfonate, (s)-","c1(S(=O)(=O)OCC2CO2)ccc(C)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Sulfonates and Sulfates",1,"SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides",1,"Benzenesulfonic ethers, methylation (Nongenotox)|Epoxides and aziridines (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Sulfonates and Sulfates",1,"Epoxides and aziridines",1,"Epoxides and aziridines|H-acceptor-path3-H-acceptor",1]
["71382-49-5","dibenz[a,h]anthracene 5,6-imine;1h-dibenz(3,4:7,8)anthra(1,2-b)azirine, 1a,13b-dihydro-","c12-c3c(C4C(c1cc1c5c(ccc1c2)cccc5)N4)cccc3","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1|SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Aziridines",1,"Epoxides and aziridines (Genotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Epoxides and aziridines|Polycyclic Aromatic Hydrocarbons",1,"Epoxides and aziridines|Polycyclic Aromatic Hydrocarbons",1]
["71673-83-1","lx 201","C1(=O)C(C)(OC(C)=O)C(C)CC(=CC)C(=O)OC2C3=C(C=CN{+}3(C)(.O{-}C(C)=O)CC2)CO1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Specific Acetate Esters|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Specific Acetate Esters|SN2|SN2 >> Acylating agents|SN2 >> Acylating agents >> Specific Acetate Esters|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Specific Acetate Esters",1,"Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated esters",1,"No alert found",0,"No alert found|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|SN1|SN1 >> Carbenium ion formation|SN2|SN2 >> Acylating agents|SN2 >> SN2 at sp3-carbon atom",1,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["72273-04-2","3beta-hydroxy-13alpha-amino-13,17-seco-5alpha-androstan-17-oic-13,17-lactam-p-n,n-bis(2-chloroethyl);3beta-hydroxy-13alpha-amino-13,17-seco-5alpha-androstan-17-oic-13,17-lactam-p-n,n-bis(2-chloroethyl)aminophenoxyacetate","C12(C)C(C3C(C4(C)C(CC(OC(=O)COc5ccc(N(CCCl)CCCl)cc5)CC4)CC3)CC1)CCC(=O)N2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Nitrogen Mustards",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine|SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> Mustards",1,"S or N mustard (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"S or N mustard",1,"H-acceptor-path3-H-acceptor|S or N mustard",1]
["74340-04-8","trans-3,4-dihydro-3,4-dihydroxydibenzo[a,e]fluoranthene;dibenz(a,e)aceanthrylene-10,11-diol, 10,11-dihydro-, trans-","c12c(c3c4c(c5c(c4c4c(cccc4)c3)cccc5)c1)C=CC(O)C2O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition",1,"Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Polycyclic Aromatic Hydrocarbons",1,"H-acceptor-path3-H-acceptor|Polycyclic Aromatic Hydrocarbons",1]
["74669-74-2","(s)-1-azido-2-phenylpropane","c1(C(C)CN=N#N)ccccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes",1,"Azide and triazene groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Azide and triazene groups",1,"Azide and triazene groups",1]
["75607-61-3","s-(2-chloroethyl)glutathione","C(=O)(O)C(N)CCC(=O)N(C(=O)C(N)CSCCCl)CC(=O)O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines|SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> Mustards",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["75995-58-3","2-bromo-n-benzylpropanamide","C(=O)(C(C)Br)NCc1ccccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes",1,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aliphatic halogens",1,"Aliphatic halogen|H-acceptor-path3-H-acceptor",1]
["76919-33-0","5-(oxiranylmethoxy)-1,2-benzisothiazole","c12c(C=NS1)cc(OCC1CO1)cc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides",1,"Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Epoxides and aziridines",1,"Epoxides and aziridines|H-acceptor-path3-H-acceptor",1]
["77314-23-9","2-hydroxyamino-3-methylimidazolo[4,5-f]quinoline","c12c(c3c(cc1)N(C)C(NO)=N3)cccn2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 98(NR)","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> N-hydroxylamines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Unsaturated heterocyclic N-hydroxylamines",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Imidazole, benzimidazole (Nongenotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> N-hydroxylamines",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons",1,"H-acceptor-path3-H-acceptor|Heterocyclic Polycyclic Aromatic Hydrocarbons",1]
["78448-08-5","2-hydroxy-7h-dibenzo[c,g]carbazole;2-hydroxy-7h-dibenzo(c,g)carbazole","c12-c3c4c(ccc(O)c4)ccc3Nc1ccc1c2cccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Heterocyclic Polycyclic Aromatic Hydrocarbons",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons",1]
["78992-87-7","3-chloro-1-propanethiol, platinum(2+) salt","C(Cl)CCS{-}.[Pt]{2+}.S{-}CCCCl","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides",1,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aliphatic halogens",1,"Aliphatic halogen",1]
["80556-89-4","n-nitroso-(2-hydroxyethyl)glycine;glycine, n-(2-(hydroxyethyl)-n-nitroso-","C(=O)(O)CN(CCO)N=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2",1,"Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"Alkyl and aryl N-nitroso groups",1,"Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor",1]
["81316-80-5","3-nitrobenzo[k]fluoranthene;benzo(k)fluoranthene, 3-nitro-","c1(N(=O)=O)c2c3c(c4c(c3ccc2)cc2c(cccc2)c4)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic|Polycyclic Aromatic Hydrocarbons",1,"Nitro-aromatic|Polycyclic Aromatic Hydrocarbons",1]
["81593-15-9","n-chlorophenanthrene 9,10-imine;1h-phenanthro(9,10-b)azirine, 1a,9b-dihydro-1-chloro-","c12-c3c(C4C(c1cccc2)N4Cl)cccc3","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Aziridines",1,"Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Epoxides and aziridines",1,"Epoxides and aziridines",1]
["81924-79-0","n-(5-(diethylamino)-4-methoxy-2-((4-nitrophenyl)azo)phenyl)acetamide","c1(NC(C)=O)c(N=Nc2ccc(N(=O)=O)cc2)cc(OC)c(N(CC)CC)c1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic azo|SN1 >> Nitrenium Ion formation >> Aromatic nitro|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine",1,"Aromatic diazo (Genotox)|Aromatic mono-and dialkylamine (Genotox)|Aromatic N-acyl amine (Genotox)|Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Aromatic diazo|Aromatic mono-and dialkylamine|Aromatic N-acyl amine|Nitro-aromatic",1,"Aromatic diazo|Aromatic mono- and dialkylamine|Aromatic N-acyl amine|H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["83312-51-0","7-hydroxy-2-methylanthraquinone","c12C(=O)c3c(C(=O)c1cc(C)cc2)cc(O)cc3","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones",1,"No alert found",0,"Quinones (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones",1,"Quinones",1,"H-acceptor-path3-H-acceptor|Quinones",1]
["84506-41-2","(r)-3-azido-2-methylpropanoic acid, methyl ester","C(=O)(C(C)CN=N#N)OC","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Azide and triazene groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Azide and triazene groups",1,"Azide and triazene groups|H-acceptor-path3-H-acceptor",1]
["84850-16-8","benzo[g]chrysene 9,10-oxide","c12c(c3c(c4c5c(c6c(c14)cccc6)cccc5)cccc3)O2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1",1,"Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1]
["86439-49-8","3-nitro-2-aminocarbazole;9h-carbazol-2-amine, 3-nitro-","c12-c3c(cc(N)c(N(=O)=O)c3)Nc1cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Nitro-aromatic (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons|Nitro-aromatic|Primary aromatic amine,hydroxyl amine and its derived esters",1,"H-acceptor-path3-H-acceptor|Heterocyclic Polycyclic Aromatic Hydrocarbons|Nitro-aromatic|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["87009-12-9","uracil-1-yl;uracil","C1(=O)C=CNC(=O)N1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"No alert found",0,"alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"alpha,beta-unsaturated carbonyls",1,"alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor",1]
["87576-94-1","trimethylsilylmethyl azide","C(N=N#N)[Si](C)(C)C","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Azide and triazene groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Azide and triazene groups",1,"Azide and triazene groups",1]
["88492-34-6","adenin-9-yl;9h-purine-9-ethanol, 6-amino-alpha-(azidomethyl)-","c1(N)c2c(N(CC(O)CN=N#N)C=N2)ncn1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"No alert found",0,"Azide and triazene groups (Genotox)|Imidazole, benzimidazole (Nongenotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"No alert found",0,"Azide and triazene groups|Primary aromatic amine,hydroxyl amine and its derived esters",1,"Azide and triazene groups|H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["88598-60-1","1-nitrobenzo[a]pyrene trans-9,10-dihydrodiol;benzo(a)pyrene-9,10-diol, 9,10-dihydro-1-nitro-, trans-","c1(N(=O)=O)c2c3c4c(c5c(C=CC(O)C5O)cc4ccc3cc1)cc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 98(1,8-DNP6)","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Nitro-aromatic|Polycyclic Aromatic Hydrocarbons",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic|Polycyclic Aromatic Hydrocarbons",1]
["89459-25-6","n-[2-(dimethylamino)ethyl]-4-acridinecarboxamide;acridine-4-carboxylic acid (2-dimethylamino-ethyl)-amide;4-acridinecarboxamide, n-(2-(dimethylamino)ethyl)-","C(=O)(c1c2c(cc3c(cccc3)n2)ccc1)NCCN(C)C","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Moderate Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition|SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Heterocyclic Polycyclic Aromatic Hydrocarbons",1,"H-acceptor-path3-H-acceptor|Heterocyclic Polycyclic Aromatic Hydrocarbons",1]
["89873-24-5","n-(4-azidophenyl)-9-acridinamine;9-acridinamine, n-(4-azidophenyl)-","c12c(c(Nc3ccc(N=N#N)cc3)c3c(cccc3)n1)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition",1,"Azide and triazene groups (Genotox)|Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Azide and triazene groups|Heterocyclic Polycyclic Aromatic Hydrocarbons",1,"Azide and triazene groups|Heterocyclic Polycyclic Aromatic Hydrocarbons",1]
["89930-60-9","1-propylagroclavine hydrogen (2r,3r)-tartrate","C(=O)(O)C(O)C(O)C(=O)O_C12c3c(C4C=C(C)CN(C)C4C1)cccc3N(CCC)C=2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found|SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor|No alert found",1]
["90745-27-0","1-methyl-8-nitronaphthalene","c1(N(=O)=O)c2c(C)cccc2ccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"Nitro-aromatic",1]
["91254-97-6","1-nitropyren-5-ol;4-pyrenol, 8-nitro-","c1(N(=O)=O)c2c3c4c(c(O)cc3cc1)cccc4cc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Nitro-aromatic|Polycyclic Aromatic Hydrocarbons",1,"Nitro-aromatic|Polycyclic Aromatic Hydrocarbons",1]
["91259-16-4","1-nitrobenzo[e]pyrene;benzo(e)pyrene, 1-nitro-","c1(N(=O)=O)c2c3c(c4c5c(ccc(c25)cc1)ccc4)cccc3","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 98(1,8-DNP6)","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition|SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Nitro-aromatic|Polycyclic Aromatic Hydrocarbons",1,"Nitro-aromatic|Polycyclic Aromatic Hydrocarbons",1]
["91626-52-7","4,5-dichloro-2-(methylsulfonyl)-3(2h)-pyridazinone","C1(=O)C(Cl)=C(Cl)C=NN1S(C)(=O)=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives",1,"No alert found",0,"alpha,beta-unsaturated carbonyls (Genotox)|Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives",1,"alpha,beta-unsaturated carbonyls|Hydrazine",1,"alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor|Hydrazine",1]
["91828-72-7","trans-1,2-dihydro-1,2-dihydroxy-6-nitrochrysene;chrysene-1,2-diol, 1,2-dihydro-6-nitro-, (1r,2r)-rel-","c1(N(=O)=O)c2c(c3c(c4c(C(O)C(O)C=C4)cc3)c1)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Nitro-aromatic|Polycyclic Aromatic Hydrocarbons",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic|Polycyclic Aromatic Hydrocarbons",1]
["92134-93-5","2-hydroxymethyl-n-nitrosothiazolidine","C1(CO)N(N=O)CCS1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2",1,"Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"Alkyl and aryl N-nitroso groups",1,"Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor",1]
["92557-61-4","1'-methylascorbigen;beta-l-threo-l-glycero-3-hexulofuranosonic acid, 2-c-((1-methyl-1h-indol-3-yl)methyl)-, gamma-lactone","C1(=O)C(O)(CC2c3c(cccc3)N(C)C=2)C2(O)C(C(O)CO2)O1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Michael addition|Michael addition >> alpha, beta-unsaturated carabonyl compounds|Michael addition >> alpha, beta-unsaturated carabonyl compounds >> Four- and Five-Membered Lactones|SN2|SN2 >> Ring opening SN2 reaction|SN2 >> Ring opening SN2 reaction >> Four- and Five-Membered Lactones",1,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor|Oxolane",1]
["92887-88-2","6-((p-(n-beta-cyanoethyl-n-methylamino)phenyl)azo)benzothiazole","c12c(cc(N=Nc3ccc(N(C)CCC#N)cc3)cc1)SC=N2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic azo|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine",1,"Aromatic diazo (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aromatic diazo",1,"Aromatic diazo|H-acceptor-path3-H-acceptor",1]
["93673-32-6","benz[e]aceanthrylene-5,6-oxide","C12c3c(cccc3)CC3=C4C(C=CC=C4)=CC(=C4C=1O4)C23","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Allyl benzenes",1,"Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Epoxides and aziridines",1,"Epoxides and aziridines",1]
["94223-88-8","10-nitroacenaphtho[1,2-b]quinoline","c12c3c(c4c(c3ccc1)cc1c(ccc(C)c1)n4)ccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0]
["94339-55-6","7-hydroxy-7,8-dihydrobenzo[a]pyrene;7-hydroxy-7,8-dihydrobenzo(a)pyrene","c12c3c4c(c5c(C(O)CC=C5)cc4ccc3ccc1)cc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"No alert found",0,"Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1]
["94764-55-3","3-nitrodibenzothiophene;dibenzothiophene, 3-nitro-","c12-c3c(cc(N(=O)=O)cc3)Sc1cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 98(NR)","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Heterocyclic Polycyclic Aromatic Hydrocarbons|Nitro-aromatic",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons|Nitro-aromatic",1]
["95331-48-9","n-hydroxy-n-acetyl-1-aminopyrene;acetamide, n-hydroxy-n-1-pyrenyl-","c12c3c4c(c(N(O)C(C)=O)ccc4ccc3ccc1)cc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 98(1,8-DNP6)","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> N-hydroxylamines|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"No alert found",0,"Polycyclic Aromatic Hydrocarbons (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons|Primary aromatic amine,hydroxyl amine and its derived esters",1,"H-acceptor-path3-H-acceptor|Polycyclic Aromatic Hydrocarbons|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["95741-51-8","1,3-dimethylbenzo[b]fluoranthrene",null,"Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","(N/A)",1,"(N/A)",1,"(N/A)",1,"(N/A)",1,"(N/A)",1,"(N/A)",1]
["96018-74-5","n-(4-fluorophenyl)-n-hydroxyformamide","c1(F)ccc(N(O)C=O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> N-hydroxylamines",1,"No alert found",0,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> N-hydroxylamines",1,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["96563-11-0","2-fluoro-9-methylfluorene;9h-fluorene, 2-fluoro-9-methyl-","c12-c3c(C(C)c1cc(F)cc2)cccc3","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1]
["96910-71-3","9-hydroxyisovelleral;cycloprop(e)indene-1a,2(1h)-dicarboxaldehyde, 3a,4,5,6,6a,6b-hexahydro-3a-hydroxy-5,5,6b-trimethyl-, (1as-(1a-alpha,3a-beta,6a-beta,6b-alpha))-","C1(C=O)C2(C=O)C(C)(C3C(O)(C=1)CC(C)(C)C3)C2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated aldehydes|Schiff base formers|Schiff base formers >> Direct Acting Schiff Base Formers|Schiff base formers >> Direct Acting Schiff Base Formers >> Mono aldehydes",1,"Simple aldehyde (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Simple aldehyde",1,"H-acceptor-path3-H-acceptor|Simple aldehyde",1]
["97136-66-8","4-amino-4'-methylstilbene;benzenamine, 4-(2-(4-methylphenyl)ethenyl)-","c1(C=Cc2ccc(C)cc2)ccc(N)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"Primary aromatic amine, hydroxyl amine and its derived esters",1]
["97166-13-7","1,2-dibromo-3-chlorobutane;butane, 1,2-dibromo-3-chloro-","C(C)(Cl)C(Br)CBr","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation >> Vicinal Dihaloalkanes",1,"SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> 1,2-Dihaloalkanes",1,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aliphatic halogens",1,"Aliphatic halogen",1]
["97461-43-3","alpha-methyl-5-nitro-2-furanacrylic acid, methyl ester;2-propenoic acid, 2-methyl-3-(5-nitro-2-furanyl)-, methyl ester","C(=O)(C(C)=CC1=CC=C(N(=O)=O)O1)OC","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated esters|SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Unsaturated heterocyclic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["97606-15-0","1a,7b-dihydroazirino[5,6]benzo[1,2-c:3,4-c']dithiophene 4,5-imine","C12C(C3C(C4C1N4)=CSC=3)=CSC=2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Michael addition|Michael addition >> P450 Mediated Activation of Heterocyclic Ring Systems|Michael addition >> P450 Mediated Activation of Heterocyclic Ring Systems >> Thiophenes-Michael addition|SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Aziridines",1,"Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Epoxides and aziridines",1,"Epoxides and aziridines",1]
["98033-25-1","2,3-dimethyl-3h-phenanthro[3,4-d]imidazol-10-ol","c12c(c3c4c(ccc(O)c4)ccc3cc1)N=C(C)N2C","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"No alert found",0,"Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Imidazole, benzimidazole (Nongenotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons|Polycyclic Aromatic Hydrocarbons",1,"H-acceptor-path3-H-acceptor|Heterocyclic Polycyclic Aromatic Hydrocarbons|Polycyclic Aromatic Hydrocarbons",1]
["98114-61-5","potassium (z)-butanediazotate","C(CCN=N)O{-}.K{+}","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Diazenes",1,"No alert found",0,"Aliphatic azo and azoxy (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Diazenes",1,"Aliphatic azo and azoxy",1,"Aliphatic azo and azoxy|H-acceptor-path3-H-acceptor",1]
["98447-32-6","2-chloro-n-(6-chloro-2,1-benzisothiazol-3-yl)acetamide","C12C(=C(NC(=O)CCl)SN=1)C=CC(Cl)=C2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aliphatic halogens",1,"Aliphatic halogen|H-acceptor-path3-H-acceptor",1]
["98600-98-7","trans-3,4-dihydroxy-3,4-dihydro-6-methylbenz[a]anthracene;benz(a)anthracene-3,4-diol, 3,4-dihydro-6-methyl-, trans-","c1(C)c2c(c3c(C(O)C(O)C=C3)c1)cc1c(cccc1)c2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition",1,"Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Polycyclic Aromatic Hydrocarbons",1,"H-acceptor-path3-H-acceptor|Polycyclic Aromatic Hydrocarbons",1]
["98736-49-3","n-nitroso-n-(3-cyanobenzyl)methylamine;m-tolunitrile, alpha-(methylnitrosamino)-","C(#N)c1cc(CN(C)N=O)ccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2",1,"Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"Alkyl and aryl N-nitroso groups",1,"Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor",1]
["98736-50-6","n-nitroso-n-(4-bromobenzyl)methylamine;benzenemethanamine, 4-bromo-n-methyl-n-nitroso-","c1(Br)ccc(CN(C)N=O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Moderate Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2",1,"Alkyl and aryl N-nitroso groups (Genotox)|Halogenated benzene (Nongenotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"Alkyl and aryl N-nitroso groups",1,"Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor",1]
["99240-66-1","n-ethyl-2-acetylaminofluorene;acetamide, n-ethyl-n-9h-fluoren-2-yl-","c12-c3c(cc(N(C(C)=O)CC)cc3)Cc1cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Polycyclic Aromatic Hydrocarbons",1,"H-acceptor-path3-H-acceptor|Polycyclic Aromatic Hydrocarbons",1]
["99520-58-8","8-hydroxyindeno[1,2,3-cd]pyrene","c12c3c4c(c(O)c5c6c(c(c35)cc1)cccc6)cccc4cc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"No alert found",0,"Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1]
["99523-84-9","n-[5-methyl-1-(3-nitrobenzoyl)-2,1-benzisothiazol-3(1h)-ylidene]-3-nitrobenzamide","C1(=NC(=O)c2cc(N(=O)=O)ccc2)c2c(ccc(C)c2)N(C(=O)c2cc(N(=O)=O)ccc2)S1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["100310-95-0","8,9-dihydro-8,9-dihydroxybenzo[k]fluoranthene","c12c3c(c4c(c3ccc1)cc1c(C(O)C(O)C=C1)c4)ccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Polycyclic Aromatic Hydrocarbons",1,"H-acceptor-path3-H-acceptor|Polycyclic Aromatic Hydrocarbons",1]
["100753-80-8","antibiotic sn-07","c12C(=O)c3c(C(=O)c1c(O)c1c(c2O)C(OC2CC(N)C(OC(CC(C)O)OC(C)C=O)C(C)O2)CC(O)(C(C)=O)C1)cccc3O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Alkyl phenols|Schiff base formers|Schiff base formers >> Direct Acting Schiff Base Formers|Schiff base formers >> Direct Acting Schiff Base Formers >> Mono aldehydes",1,"Quinones (Genotox)|Simple aldehyde (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones",1,"Quinones|Simple aldehyde",1,"H-acceptor-path3-H-acceptor|Quinones|Simple aldehyde",1]
["101043-65-6","1-nitro-6-nitrosopyrene;pyrene, 1-nitro-6-nitroso-","c1(N(=O)=O)c2c3c4c(c(N=O)ccc4cc2)ccc3cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro|SN1 >> Nitrenium Ion formation >> Aromatic nitroso",1,"Aromatic nitroso group (Genotox)|Nitro-aromatic (Genotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Aromatic nitroso group|Nitro-aromatic|Polycyclic Aromatic Hydrocarbons",1,"Aromatic nitroso group  |H-acceptor-path3-H-acceptor|Nitro-aromatic|Polycyclic Aromatic Hydrocarbons",1]
["102408-26-4","3-methyl-2-methylaminoimidazo[4,5-f]quinoline;2-methylamino-3-methylimidazo[45f]quinoline;3h-imidazo(4,5-f)quinolin-2-amine, n,3-dimethyl-","c12c(c3c(cc1)N(C)C(NC)=N3)cccn2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Moderate Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Secondary (unsaturated) heterocyclic amine",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Imidazole, benzimidazole (Nongenotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"No alert found",0,"Heterocyclic Polycyclic Aromatic Hydrocarbons",1,"H-acceptor-path3-H-acceptor|Heterocyclic Polycyclic Aromatic Hydrocarbons",1]
["102408-27-5","3-methyl-2,2-dimethylaminoimidazo[4,5-f]quinoline;imidazo[45f]quinoline,3-methyl-2-diemthylamino;3-methyl-2,2-dimethylaminoimidazo(4,5-f)quinoline","c12c(c3c(cc1)N(C)C(N(C)C)=N3)cccn2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Moderate Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Tertiary (unsaturated) heterocyclic amine",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Imidazole, benzimidazole (Nongenotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"No alert found",0,"Heterocyclic Polycyclic Aromatic Hydrocarbons",1,"H-acceptor-path3-H-acceptor|Heterocyclic Polycyclic Aromatic Hydrocarbons",1]
["103302-38-1","(+/-)-trans-3,5-cyclohexadiene-1,2-diol","C1C(O)C(O)C=CC=1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["103942-97-8","n-[2-(dimethylamino)ethyl]-1-phenazinecarboxamide;1-phenazinecarboxamide, n-(2-(dimethylamino)ethyl)-","C(=O)(c1c2c(ccc1)nc1c(cccc1)n2)NCCN(C)C","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition|SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Heterocyclic Polycyclic Aromatic Hydrocarbons",1,"H-acceptor-path3-H-acceptor|Heterocyclic Polycyclic Aromatic Hydrocarbons",1]
["105360-93-8","1-aza-2-hydroxypyrene;naphtho(2,1,8-def)quinolin-2-ol","C12c3c4c(C=C1)cccc4ccc3NC(=O)C=2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["105427-03-0","2,3-epoxy-n-phenylpropanamide","C(=O)(C1CO1)Nc1ccccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides",1,"Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Epoxides and aziridines",1,"Epoxides and aziridines|H-acceptor-path3-H-acceptor",1]
["105500-28-5","(1aalpha, 2beta, 3alpha,","c12c(c3c(C(O)C(O)C4C3O4)cc1)cc1c3c(ccc1n2)cccc3","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1|SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides",1,"Epoxides and aziridines (Genotox)|Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Epoxides and aziridines|Heterocyclic Polycyclic Aromatic Hydrocarbons",1,"Epoxides and aziridines|H-acceptor-path3-H-acceptor|Heterocyclic Polycyclic Aromatic Hydrocarbons",1]
["105596-42-7","1-nitropyrene 4,5-oxide","c1(N(=O)=O)c2c3c4c(C5C(c3cc1)O5)cccc4cc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro|SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides",1,"Epoxides and aziridines (Genotox)|Nitro-aromatic (Genotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Epoxides and aziridines|Nitro-aromatic|Polycyclic Aromatic Hydrocarbons",1,"Epoxides and aziridines|Nitro-aromatic|Polycyclic Aromatic Hydrocarbons",1]
["105801-28-3","n-hydroxy-n-(4-(4-chlorophenoxy)phenyl)formamide","c1(Oc2ccc(Cl)cc2)ccc(N(O)C=O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> N-hydroxylamines",1,"No alert found",0,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> N-hydroxylamines",1,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"1-phenoxy-benzene|H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["105802-11-7","6-nitro-5-methylchrysene;chrysene, 5-methyl-6-nitro-","c12c(c3c(C)c(N(=O)=O)c4c(c3cc1)cccc4)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Nitro-aromatic|Polycyclic Aromatic Hydrocarbons",1,"Nitro-aromatic|Polycyclic Aromatic Hydrocarbons",1]
["106532-61-0","n-[5-nitro-1-(1-oxopropyl)-2,1-benzisothiazol-3(1h)-ylidene]propanamide;n-(5-nitro-1-(1-oxopropyl)-2,1-benzisothiazol-3(1h)-ylidene)propanamide","C1(=NC(=O)CC)c2c(ccc(N(=O)=O)c2)N(C(=O)CC)S1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["106532-68-7","n-[5-nitro-1-(1-oxohexyl)-2,1-benzisothiazol-3(1h)-ylidene]hexanamide;n-(5-nitro-1-(1-oxohexyl)-2,1-benzisothiazol-3(1h)-ylidene)hexanamide","C1(=NC(=O)CCCCC)c2c(ccc(N(=O)=O)c2)N(C(=O)CCCCC)S1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["106532-75-6","3,4-dichloro-n-[1-(3,4-dichlorobenzoyl)-5-nitro-2,1-benzisothiazol-3(1h)-ylidene]benzamide;3,4-dichloro-n-(1-(3,4-dichlorobenzoyl)-5-nitro-2,1-benzisothiazol-3(1h)-ylidene)benzamide","C1(=NC(=O)c2cc(Cl)c(Cl)cc2)c2c(ccc(N(=O)=O)c2)N(C(=O)c2cc(Cl)c(Cl)cc2)S1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["106636-48-0","2,3-dihydro-5-nitro-6-(4-nitrophenyl)imidazo[2,1-b]thiazole;imidazo(2,1-b)thiazole, 2,3-dihydro-5-nitro-6-(p-nitrophenyl)-","c1(C2=C(N(=O)=O)N3C(=N2)SCC3)ccc(N(=O)=O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro|SN1 >> Nitrenium Ion formation >> Unsaturated heterocyclic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["107027-31-6","n-[2-(dimethylamino)ethyl]-3-phenyl-5-quinoxalinecarboxamide;n-(2-(dimethylamino)ethyl)-3-phenyl-5-quinoxalinecarboxamide","C(=O)(c1c2c(ccc1)ncc(-c1ccccc1)n2)NCCN(C)C","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["107534-94-1","17-beta-hydroxy-4-aza-a-nor-5-androsten-3-one","C12C(C)(C3C(C4C(C)(C(OC(=O)CCCc5ccc(N(CCCl)CCCl)cc5)CC4)CC3)CC=1)CCC(=O)N2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Nitrogen Mustards",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine|SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> Mustards",1,"S or N mustard (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"S or N mustard",1,"H-acceptor-path3-H-acceptor|S or N mustard",1]
["108283-49-4","n-tert-butyloxycarbonyl-dl-azidoalanine","C(=O)(O)C(C)N(C(=O)OC(C)(C)C)N=N#N","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Azide and triazene groups (Genotox)|Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Azide and triazene groups|Hydrazine",1,"Azide and triazene groups|H-acceptor-path3-H-acceptor|Hydrazine",1]
["108319-06-8","temafloxacin","C(=O)(O)C1C(=O)c2c(cc(N3CC(C)NCC3)c(F)c2)N(c2c(F)cc(F)cc2)C=1_Cl{-}_R","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 102","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found|SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine",1,"Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["109143-18-2","7-[bis(2-chloroethyl)amino]-4-methoxy-2-nitrobenzofuran;7-benzofuranamine, n,n-bis(2-chloroethyl)-4-methoxy-2-nitro-","c1(OC)c2c(c(N(CCCl)CCCl)cc1)OC(N(=O)=O)=C2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Nitrogen Mustards",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine|SN1 >> Nitrenium Ion formation >> Unsaturated heterocyclic nitro|SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> Mustards",1,"S or N mustard (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"S or N mustard",1,"1,3-dialkoxy-benzene|H-acceptor-path3-H-acceptor|S or N mustard",1]
["109875-50-5","2-(p-nitrophenyl)adenine;1h-purin-6-amine, 2-(4-nitrophenyl)-","c1(-c2ccc(N(=O)=O)cc2)nc(N)c2c(N=CN2)n1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100(1,8-DNP6)","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Imidazole, benzimidazole (Nongenotox)|Nitro-aromatic (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"No alert found",0,"Nitro-aromatic|Primary aromatic amine,hydroxyl amine and its derived esters",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["110021-94-8","n-[4-[(2-azido-9-acridinyl)amino]phenyl]methanesulfonamide;methanesulfonamide, n-(4-((2-azido-9-acridinyl)amino)phenyl)-","c12c(c(Nc3ccc(NS(C)(=O)=O)cc3)c3c(ccc(N=N#N)c3)n1)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition",1,"Azide and triazene groups (Genotox)|Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Azide and triazene groups|Heterocyclic Polycyclic Aromatic Hydrocarbons",1,"Azide and triazene groups|H-acceptor-path3-H-acceptor|Heterocyclic Polycyclic Aromatic Hydrocarbons",1]
["111070-55-4","n-[(5-nitro-2-furanyl)methylene]-1h-pyrazol-1-amine;1h-pyrazol-1-amine, n-((5-nitro-2-furanyl)methylene)-","C1(C=NN2C=CC=N2)=CC=C(N(=O)=O)O1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Unsaturated heterocyclic nitro",1,"Hydrazine (Genotox)|Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Hydrazine|Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Hydrazine|Nitro-aromatic",1]
["111712-45-9","tris(3,4-dibromo-2-butyl)phosphate;phosphoric acid, tris(3,4-dibromo-2-butyl)-","C(C)(C(Br)CBr)OP(=O)(OC(C)C(Br)CBr)OC(C)C(Br)CBr","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation >> Vicinal Dihaloalkanes|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> 1,2-Dihaloalkanes",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation >> Vicinal Dihaloalkanes|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid|H-acceptor-path3-H-acceptor",1]
["111858-64-1","n-nitroso-n-p-carboxyphenyl-d-arabinosylamine;benzoic acid, 4-(d-arabinopyranosylnitrosoamino)- (9ci)","C(=O)(O)c1ccc(N(C2C(O)C(O)C(O)CO2)N=O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2",1,"Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"Alkyl and aryl N-nitroso groups",1,"Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor",1]
["111955-14-7","n-nitroso-n-p-nitrophenyl-d-ribosylamine;d-ribopyranosylamine, n-(p-nitrophenyl)-n-nitroso-","c1(N(=O)=O)ccc(N(C2C(O)C(O)C(O)CO2)N=O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2",1,"Alkyl and aryl N-nitroso groups (Genotox)|Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"Alkyl and aryl N-nitroso groups|Nitro-aromatic",1,"Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["111955-18-1","n-nitroso-n-p-nitrophenyl-d-xylosylamine","c1(N(=O)=O)ccc(N(C2C(O)C(O)C(O)CO2)N=O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2",1,"Alkyl and aryl N-nitroso groups (Genotox)|Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"Alkyl and aryl N-nitroso groups|Nitro-aromatic",1,"Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["112022-09-0","n-[2-(dimethylamino)ethyl]-11-oxo-11h-pyrido[2,1-b]quinazoline-6-carboxamide;11h-pyrido(2,1-b)quinazoline-6-carboxamide, n-(2-(dimethylamino)ethyl)-11-oxo-","C(=O)(C1C2N(C(=O)c3c(cccc3)N=2)C=CC=1)NCCN(C)C","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated amides|SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["112575-92-5","2,3-dihydro-2,3-dihydroxybenzo[k]fluoranthene;2,3-dihydro-2,3-dihydroxybenzo(k)fluoranthene","c12C3c4c(-c1cc1c(cccc1)c2)cccc4C(O)C(O)C=3","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Polycyclic Aromatic Hydrocarbons",1,"H-acceptor-path3-H-acceptor|Polycyclic Aromatic Hydrocarbons",1]
["113124-69-9","3-methoxy-8,9,10,11-tetrahydro-1h-indolo[3,2-c]quinoline-1,4,(7h)-dione;1h-indole(3,2-c)quinoline-1,4(7h)-dione, 8,9,10,11-tetrahydro-3-methoxy-","C1(OC)C(=O)c2c(C(=O)C=1)c1c(C3=C(CCCC3)N1)cn2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> Quinones and Quinone-type Chemicals|Michael addition >> Quinones and Quinone-type Chemicals >> Quinones",1,"alpha,beta-unsaturated carbonyls (Genotox)|Quinones (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"alpha,beta-unsaturated carbonyls|Quinones",1,"alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor|Quinones",1]
["113698-22-9","3-methoxy-6-methyl-1h-indolo[3,2-c]quinoline-1,4(11h)-dione;1h-indolo(3,2-c)quinoline-1,4(11h)-dione, 3-methoxy-6-methyl-","C1(OC)C(=O)c2c(C(=O)C=1)c1c(-c3c(cccc3)N1)c(C)n2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> Quinones and Quinone-type Chemicals|Michael addition >> Quinones and Quinone-type Chemicals >> Quinones",1,"alpha,beta-unsaturated carbonyls (Genotox)|Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Quinones (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"alpha,beta-unsaturated carbonyls|Heterocyclic Polycyclic Aromatic Hydrocarbons|Quinones",1,"alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor|Heterocyclic Polycyclic Aromatic Hydrocarbons|Quinones",1]
["114454-59-0","trans-4,5-dihydroxy-1-nitro-4,5-dihydrobenzo[e]pyrene;benzo(e)pyrene-4,5-diol, 4,5-dihydro-1-nitro-, trans- (9ci)","c1(N(=O)=O)c2c3c(c4c5c(C(O)C(O)c(c25)cc1)ccc4)cccc3","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 98(1,8-DNP6)","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Nitro-aromatic|Polycyclic Aromatic Hydrocarbons",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic|Polycyclic Aromatic Hydrocarbons",1]
["114460-40-1","2,5-dimethyl-3h-phenanthro[3,4-d]imidazol-10-ol","c12c(c3c4c(cc(C)c3cc1)NC(C)=N4)cc(O)cc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"No alert found",0,"Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Imidazole, benzimidazole (Nongenotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons|Polycyclic Aromatic Hydrocarbons",1,"H-acceptor-path3-H-acceptor|Heterocyclic Polycyclic Aromatic Hydrocarbons|Polycyclic Aromatic Hydrocarbons",1]
["115044-41-2","2-hydroxyamino-3,8-dimethylimidazo[4,5-f]quinoxaline","c12c(c3c(cc1)N(C)C(N=O)=N3)NC(C)=CN2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Unsaturated heterocyclic nitroso",1,"Imidazole, benzimidazole (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["115314-17-5","(r)-glycidyl 3-nitrobenzenesulfonate;benzenesulfonic acid, 3-nitro-, (2r)-2-oxiranylmethyl ester","c1(S(=O)(=O)OCC2CO2)cc(N(=O)=O)ccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Sulfonates and Sulfates",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro|SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides",1,"Epoxides and aziridines (Genotox)|Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Sulfonates and Sulfates",1,"Epoxides and aziridines|Nitro-aromatic",1,"Epoxides and aziridines|H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["115664-59-0","3-nitrofluoranthen-9-ol","c1(N(=O)=O)c2c3c(c4c(c3ccc2)ccc(O)c4)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic|Polycyclic Aromatic Hydrocarbons",1,"Nitro-aromatic|Polycyclic Aromatic Hydrocarbons",1]
["116208-67-4","3-fluorobenzo[k]fluoranthene;benzo(k)fluoranthene, 3-fluoro-","c1(F)c2c3c(c4c(c3ccc2)cc2c(cccc2)c4)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Halogenated benzene (Nongenotox)|Halogenated PAH (naphthalenes, biphenyls, diphenyls) (Nongenotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"No alert found",0,"Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1]
["116374-67-5","n9[3-(dimethylamino)propyl]-n4,n4-dimethyl-1-nitro-4,9-acridinediamine;n%9&-(3-dimethylamino-propyl)-n%4&,n%4&-dimethyl-1-nitro-acridine-4,9-diamine;4,9-acridinediamine, n(sup 4),n(sup 4)-dimethyl-n(sup 9)-(3-(dimethylamino)propyl)-1-nitro-","c12c(c(NCCCN(C)C)c3c(c(N(C)C)ccc3N(=O)=O)n1)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Moderate Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition|SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine",1,"Aromatic mono-and dialkylamine (Genotox)|Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Aromatic mono-and dialkylamine|Heterocyclic Polycyclic Aromatic Hydrocarbons|Nitro-aromatic",1,"Aromatic mono- and dialkylamine|H-acceptor-path3-H-acceptor|Heterocyclic Polycyclic Aromatic Hydrocarbons|Nitro-aromatic",1]
["117135-59-8","2-butylazo-2-propyl hydroperoxide","C(C)(C)(N=NCCCC)OO","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Organic Peroxy Compounds",1,"No alert found",0,"Aliphatic azo and azoxy (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Organic Peroxy Compounds",1,"Aliphatic azo and azoxy",1,"Aliphatic azo and azoxy|H-acceptor-path3-H-acceptor",1]
["118174-26-8","tert-butyl 3-(2-quinoxalinylmethylene)carbazate 1,4-dioxide","c12c(cccc1)N(O)C(=CN=NC(=O)OC(C)(C)C)C=N{+}2O{-}","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> N-hydroxylamines",1,"No alert found",0,"Aliphatic azo and azoxy (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aliphatic azo and azoxy|Primary aromatic amine,hydroxyl amine and its derived esters",1,"Aliphatic azo and azoxy|H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["118745-11-2","n-hydroxy-n-formyl-trans-4-aminostilbene;formamide, n-hydroxy-n-(4-(2-phenylethenyl)phenyl)-, (e)-","c1(C=Cc2ccc(N(O)C=O)cc2)ccccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> N-hydroxylamines",1,"No alert found",0,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> N-hydroxylamines",1,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["119943-51-0","(r,s)-2-butylmethanesulfonate","C(C)(CC)OS(C)(=O)=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Sulfonates and Sulfates",1,"SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Sulfonates",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Sulfonates and Sulfates",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid|H-acceptor-path3-H-acceptor",1]
["120209-97-4","2,7-diaminophenazine","c12c(cc(N)cc1)nc1c(cc(N)cc1)n2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition|SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons|Primary aromatic amine,hydroxyl amine and its derived esters",1,"H-acceptor-path3-H-acceptor|Heterocyclic Polycyclic Aromatic Hydrocarbons|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["120812-51-3","1,6-dinitro-9,10,11,12-tetrahydrobenzo[e]pyrene;benzo(e)pyrene, 9,10,11,12-tetrahydro-1,6-dinitro-","c1(N(=O)=O)c2c3c(c4c(c5c(N(=O)=O)ccc(c35)cc2)CCCC4)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Nitro-aromatic|Polycyclic Aromatic Hydrocarbons",1,"Nitro-aromatic|Polycyclic Aromatic Hydrocarbons",1]
["122033-85-6","syn-(+/-)-1,4-dimethylphenanthrene-7,8-diol-5,6-epoxide;phenanthro(3,4-b)oxirene-2,3-diol, 1a,2,3,9c-tetrahydro-6,9-dimethyl-, (1a-alpha,2-alpha,3-beta,9c-alpha)- (+-)-","c1(C)c2c(c3c(C(O)C(O)C4C3O4)cc2)c(C)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides",1,"Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Epoxides and aziridines",1,"Epoxides and aziridines|H-acceptor-path3-H-acceptor",1]
["122349-91-1","7-amino-2,4,6-trimethylquinoline;7-quinolinamine, 2,4,6-trimethyl- (9ci)","c1(C)c2c(cc(N)c(C)c2)nc(C)c1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"Primary aromatic amine, hydroxyl amine and its derived esters",1]
["124617-86-3","n-(acetyloxy)-n-(phenylmethoxy)benzamide;n-acetoxy-n-benzyloxybenzamide","C(=O)(c1ccccc1)N(OC(C)=O)OCc1ccccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Nitrenium ion and/or Acyl ion formation|SN1 >> Nitrenium ion and/or Acyl ion formation >> N-acyloxy-N-alkoxyamides|SN2|SN2 >> SN2 at Nitrogen Atom|SN2 >> SN2 at Nitrogen Atom >> N-acetoxyamines",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes|SN2|SN2 >> SN2 at a Nitrogen atom|SN2 >> SN2 at a Nitrogen atom >> N-acyloxy-N-alkoxyamides",1,"No alert found",0,"SN1|SN1 >> Nitrenium ion and/or Acyl ion formation|SN1 >> Nitrenium ion and/or Acyl ion formation >> N-acyloxy-N-alkoxyamides|SN2|SN2 >> SN2 at Nitrogen Atom|SN2 >> SN2 at Nitrogen Atom >> N-acetoxyamines",1,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["125369-76-8","5-(2-nitrophenyl)-2-(4-methylphenyl)-2,4-pentadienenitrile","C(#N)C(c1ccc(C)cc1)=CC=Cc1c(N(=O)=O)cccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 97A","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Nitro-aromatic",1,"Nitro-aromatic",1]
["125369-84-8","2-(p-bromophenyl)-5-(0-nitrophenyl)2,4-pentadienenitrile;2-(p-bromophenyl)-5-(o-nitrophenyl)-2,4-pentadienenitrile","C(#N)C(c1ccc(Br)cc1)=CC=Cc1c(N(=O)=O)cccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Halogenated benzene (Nongenotox)|Nitro-aromatic (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"No alert found",0,"Nitro-aromatic",1,"Nitro-aromatic",1]
["125955-74-0","(oc-6-22)-dibromobis[2-(2-pyridinyl)quinoline-n1,n2]-rhodium(1+) bromide",null,"Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","(N/A)",1,"(N/A)",1,"(N/A)",1,"(N/A)",1,"(N/A)",1,"(N/A)",1]
["125974-01-8","3-chloro-4-(chloromethyl)-2(5h)-furanone;2(5h)-furanone, 3-chloro-4-(chloromethyl)-","C1(=O)C(Cl)=C(CCl)CO1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives",1,"SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides",1,"Aliphatic halogens (Genotox)|alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives",1,"Aliphatic halogens|alpha,beta-unsaturated carbonyls",1,"Aliphatic halogen|alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor",1]
["126420-93-7","1[(4-bromophenyl)methyl]-1a,9b-dihydro-1h-phenanthro[9,10-b]azirine;1((4-bromophenyl)methyl)-1a,9b-dihydro-1h-phenanthro(9,10-b)azirine","c12-c3c(C4C(c1cccc2)N4Cc1ccc(Br)cc1)cccc3","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Aziridines",1,"Epoxides and aziridines (Genotox)|Halogenated benzene (Nongenotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Epoxides and aziridines",1,"Epoxides and aziridines",1]
["127072-58-6","3'-(tetradeca-1,3,5,7,9,11-hexaenyloxy)propan-1,2 diol;1,2-propanediol, 3-(1,3,5,7,9,11-tetradecahexaenyloxy)-, (all-e)-","C(C=CC=CC=CC=CC=CCC)=COCC(O)CO","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"alpha,beta-unsaturated aliphatic alkoxy group (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"alpha,beta-unsaturated aliphatic alkoxy group",1,"alpha,beta-unsaturated aliphatic alkoxy group|H-acceptor-path3-H-acceptor",1]
["127502-69-6","3-isopropyl-4-aminobiphenyl;3-isopropyl-biphenyl-4-ylamine","c1(-c2cc(C(C)C)c(N)cc2)ccccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"Primary aromatic amine, hydroxyl amine and its derived esters",1]
["128714-76-1","3,6-dinitrobenzo[a]pyrene;3,6-dinitrobenzo(a)pyrene;benzo(a)pyrene, 3,6-dinitro-","c1(N(=O)=O)c2c3c4c(c(N(=O)=O)c5c(c4ccc3cc1)cccc5)cc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition|SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Nitro-aromatic|Polycyclic Aromatic Hydrocarbons",1,"Nitro-aromatic|Polycyclic Aromatic Hydrocarbons",1]
["128753-96-8","2a-(acetyloxymethyl)-2a,7b-dihydro-7b-methyl-1,2-dioxeto[3,4-b]benzofuran;2a-(acetyloxymethyl)-2a,7b-dihydro-7b-methyl-1,2-dioxeto(3,4-b)benzofuran","C12(COC(C)=O)C(C)(c3c(cccc3)O1)OO2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Organic Peroxy Compounds|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Specific Acetate Esters|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Specific Acetate Esters|SN2|SN2 >> Acylating agents|SN2 >> Acylating agents >> Specific Acetate Esters|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Specific Acetate Esters",1,"No alert found",0,"No alert found",0,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Organic Peroxy Compounds|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Specific Acetate Esters|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Specific Acetate Esters|SN2|SN2 >> Acylating agents|SN2 >> Acylating agents >> Specific Acetate Esters|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Specific Acetate Esters",1,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["129134-96-9","1-cyclopentylfestuclavine;ergoline, 1-cyclopentyl-6,8-dimethyl-, (8-beta)-","C12c3c(C4C(C1)N(C)CC(C)C4)cccc3N(C1CCCC1)C=2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0]
["129812-26-6","7a,9a-dihydro,1,7a,9a-trimethyl-3h-[1,2]dioxeto[3',4':4,5]furo[3,2-f]benzopyran-;7a,9a-dihydro,1,7a,9a-trimethyl-3h-(1,2)dioxeto(3',4':4,5)furo(3,2-f)benzopyran-3-one","C12(C)C(C)(c3c4C(C)=CC(=O)Oc4ccc3O1)OO2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Generation of reactive oxygen species|Radical >> Generation of reactive oxygen species >> Coumarins|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Organic Peroxy Compounds|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Coumarins",1,"No alert found",0,"Coumarins and Furocoumarins (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Generation of reactive oxygen species|Radical >> Generation of reactive oxygen species >> Coumarins|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Organic Peroxy Compounds|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Coumarins",1,"Coumarins and Furocoumarins",1,"Coumarins and Furocoumarins|H-acceptor-path3-H-acceptor",1]
["130536-39-9","(+/-)-7,8-epoxy-7,8-dihydroquinoline","c12c(C3C(C=C1)O3)nccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides",1,"Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Epoxides and aziridines",1,"Epoxides and aziridines|H-acceptor-path3-H-acceptor",1]
["131229-62-4","n-(acetyloxy)-n-butoxy-4-chlorobenzamide","C(=O)(c1ccc(Cl)cc1)N(OC(C)=O)OCCCC","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Nitrenium ion and/or Acyl ion formation|SN1 >> Nitrenium ion and/or Acyl ion formation >> N-acyloxy-N-alkoxyamides|SN2|SN2 >> SN2 at Nitrogen Atom|SN2 >> SN2 at Nitrogen Atom >> N-acetoxyamines",1,"SN2|SN2 >> SN2 at a Nitrogen atom|SN2 >> SN2 at a Nitrogen atom >> N-acyloxy-N-alkoxyamides",1,"Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"SN1|SN1 >> Nitrenium ion and/or Acyl ion formation|SN1 >> Nitrenium ion and/or Acyl ion formation >> N-acyloxy-N-alkoxyamides|SN2|SN2 >> SN2 at Nitrogen Atom|SN2 >> SN2 at Nitrogen Atom >> N-acetoxyamines",1,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["131862-21-0","n-[2-(dimethylamino)ethyl]-2-phenylimidazo[1,2-a]pyridine-8-carboxamide","C(=O)(C1C2N(C=C(c3ccccc3)N=2)C=CC=1)NCCN(C)C","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated amides|SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["132335-20-7","benzo[g]chrysene-9,10-imine","c12-c3c4c(c5c(c3C3C(c1cccc2)N3)cccc5)cccc4","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1|SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Aziridines",1,"Epoxides and aziridines (Genotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Epoxides and aziridines|Polycyclic Aromatic Hydrocarbons",1,"Epoxides and aziridines|Polycyclic Aromatic Hydrocarbons",1]
["132742-03-1","1-nitro-7,8-dihydrobenzo[a]pyrene;benzo(a)pyrene, 7,8-dihydro-1-nitro-","c1(N(=O)=O)c2c3c4c(c5c(cc4ccc3cc1)CCC=C5)cc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Nitro-aromatic|Polycyclic Aromatic Hydrocarbons",1,"Nitro-aromatic|Polycyclic Aromatic Hydrocarbons",1]
["133561-39-4","2,4'-diamino-2,'4-dinitrobiphenyl;benzenamine, 2-(4-amino-2-nitrophenyl)-5-nitro-","c1(-c2c(N)cc(N(=O)=O)cc2)c(N(=O)=O)cc(N)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Nitro-aromatic (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic|Primary aromatic amine,hydroxyl amine and its derived esters",1,"Nitro-aromatic|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["133740-20-2","paepalantine;dr9709873;5,7,9,10-tetrahydroxy-3-methyl-1<i>h</i>-naphtho[2,3-<i>c</i>]pyran-1-one;5,7-di-me ether","C1(=O)c2c(c(OC)c3c(c(O)cc(OC)c3)c2O)C=C(C)O1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["134566-78-2","(-)-dichloro[2,2'-(1,2-ethanediyldiimino)bis[1-butanol]]platinum complex",null,"Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","(N/A)",1,"(N/A)",1,"(N/A)",1,"(N/A)",1,"(N/A)",1,"(N/A)",1]
["134677-27-3","(+/-)-dichloro[2,2'-(1,2-ethanediyldiimino)bis[1-butanol]]platinum complex",null,"Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","(N/A)",1,"(N/A)",1,"(N/A)",1,"(N/A)",1,"(N/A)",1,"(N/A)",1]
["135086-92-9","3,5-dihydro-3-((phenylmethylene)amino)-4h-1,2,3-triazino[5,4-b]indol-4-one","C1(=O)C2C(c3c(cccc3)N=2)=NNN1N=Cc1ccccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Hydrazine",1,"H-acceptor-path3-H-acceptor|Hydrazine",1]
["135577-57-0","2-azido-1-methyl-6-phenyl-1h-imidazo[4,5-b]pyridine;2-azido-1-methyl-6-phenyl-1h-imidazo(4,5-b)pyridine","c1(-c2cc3c(N=C(N=N#N)N3C)nc2)ccccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Azide and triazene groups (Genotox)|Imidazole, benzimidazole (Nongenotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"No alert found",0,"Azide and triazene groups",1,"Azide and triazene groups|H-acceptor-path3-H-acceptor",1]
["138154-40-2","5-((2-(diethylamino)ethyl)amino)-8-hydroxy-1-methyl-6h-imidazo(4,5,1-de)acidin-6-one;c 1310;6h-imidazo(4,5,1-de)acridin-6-one, 5-((2-(diethylamino)ethyl)amino)-8-hydroxy-1-methyl-","c12C(=O)c3c4c(ccc3NCCN(CC)CC)N=C(C)N4c1ccc(O)c2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Secondary aromatic amine",1,"Imidazole, benzimidazole (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["138331-99-4","6-azido-6-deoxy-alpha-d-altropyranose","C1(O)C(O)C(O)C(O)C(CN=N#N)O1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Azide and triazene groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Azide and triazene groups",1,"Azide and triazene groups|H-acceptor-path3-H-acceptor",1]
["138835-34-4","3-nitro-6-azabenzo[a]pyrene n-oxide;naphth(2,1,8-mna)acridine, 3-nitro-, 6-oxide","c12c(c3c4c5c(c(N(=O)=O)ccc5cc3)ccc4n1=O)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition|SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Aromatic ring N-oxide (Genotox)|Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Nitro-aromatic (Genotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Aromatic ring N-oxide|Heterocyclic Polycyclic Aromatic Hydrocarbons|Nitro-aromatic|Polycyclic Aromatic Hydrocarbons",1,"Aromatic ring N-oxide|Heterocyclic Polycyclic Aromatic Hydrocarbons|Nitro-aromatic|Polycyclic Aromatic Hydrocarbons",1]
["138914-13-3","3-nitropentane nitronate",null,"Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","(N/A)",1,"(N/A)",1,"(N/A)",1,"(N/A)",1,"(N/A)",1,"(N/A)",1]
["139259-97-5","n-(acetyloxy)-n-[(4-bromophenyl)methoxy]benzamide;n-(acetyloxy)-n-((4-bromophenyl)methoxy)benzamide","C(=O)(c1ccccc1)N(OC(C)=O)OCc1ccc(Br)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Nitrenium ion and/or Acyl ion formation|SN1 >> Nitrenium ion and/or Acyl ion formation >> N-acyloxy-N-alkoxyamides|SN2|SN2 >> SN2 at Nitrogen Atom|SN2 >> SN2 at Nitrogen Atom >> N-acetoxyamines",1,"SN2|SN2 >> SN2 at a Nitrogen atom|SN2 >> SN2 at a Nitrogen atom >> N-acyloxy-N-alkoxyamides",1,"Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"SN1|SN1 >> Nitrenium ion and/or Acyl ion formation|SN1 >> Nitrenium ion and/or Acyl ion formation >> N-acyloxy-N-alkoxyamides|SN2|SN2 >> SN2 at Nitrogen Atom|SN2 >> SN2 at Nitrogen Atom >> N-acetoxyamines",1,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["139347-89-0","(+/-)-anti-1,2-dihydroxy-3,4-epoxy-1,2,3,4-tetrahydro-5,6-dimethylchrysene;(+-)-anti-1,2-dihydroxy-3,4-epoxy-1,2,3,4-tetrahydro-5,6-dimethylchrysene","c12c(c3c(C)c(C)c4c(c3cc1)cccc4)C1C(C(O)C2O)O1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1|SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides",1,"Epoxides and aziridines (Genotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Epoxides and aziridines|Polycyclic Aromatic Hydrocarbons",1,"Epoxides and aziridines|H-acceptor-path3-H-acceptor|Polycyclic Aromatic Hydrocarbons",1]
["139953-97-2","methylglycyl fecapentaene-12;1,3,5,7,9-dodecapentaene, 1-(2-hydroxypropoxy)-, (all-e)-","C(C=CC=CC=CC=CCC)=COCC(C)O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"alpha,beta-unsaturated aliphatic alkoxy group (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"alpha,beta-unsaturated aliphatic alkoxy group",1,"alpha,beta-unsaturated aliphatic alkoxy group|H-acceptor-path3-H-acceptor",1]
["141511-31-1","3-nitrodibenz[a,h]anthracene;dibenz(a,h)anthracene, 3-nitro-","c12c(c3c(cc4c5c(cc(N(=O)=O)cc5)ccc4c3)cc1)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Nitro-aromatic|Polycyclic Aromatic Hydrocarbons",1,"Nitro-aromatic|Polycyclic Aromatic Hydrocarbons",1]
["142628-08-8","s-(2-bromo-2-chloro-1,1-difluoroethyl)-l-cysteine;l-cysteine, s-(2-bromo-2-chloro-1,1-difluoroethyl)-","C(=O)(O)C(N)CSC(F)(F)C(Cl)Br","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 2638","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes",1,"Acylation|Acylation >> P450 Mediated Activation to Acyl Halides|Acylation >> P450 Mediated Activation to Acyl Halides >> 1,1-Dihaloalkanes",1,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes",1,"Aliphatic halogens",1,"Aliphatic halogen|H-acceptor-path3-H-acceptor",1]
["142713-78-8","n,n-dimethylaminoethylnitrosoethylurea, nitrite salt","HN{+}(C(=O)N(CCN(C)C)N=O)(CC).O{-}N=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2",1,"Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"Alkyl and aryl N-nitroso groups",1,"Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor",1]
["145142-71-8","n-(acetyloxy)-n-butoxy-4-(1,1-dimethylethyl)benzamide","C(=O)(c1ccc(C(C)(C)C)cc1)N(OC(C)=O)OCCCC","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Nitrenium ion and/or Acyl ion formation|SN1 >> Nitrenium ion and/or Acyl ion formation >> N-acyloxy-N-alkoxyamides|SN2|SN2 >> SN2 at Nitrogen Atom|SN2 >> SN2 at Nitrogen Atom >> N-acetoxyamines",1,"SN2|SN2 >> SN2 at a Nitrogen atom|SN2 >> SN2 at a Nitrogen atom >> N-acyloxy-N-alkoxyamides",1,"No alert found",0,"SN1|SN1 >> Nitrenium ion and/or Acyl ion formation|SN1 >> Nitrenium ion and/or Acyl ion formation >> N-acyloxy-N-alkoxyamides|SN2|SN2 >> SN2 at Nitrogen Atom|SN2 >> SN2 at Nitrogen Atom >> N-acetoxyamines",1,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["145241-75-4","6,8-difluoroquinoline","c1(F)c2c(cc(F)c1)cccn2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0]
["145627-68-5","trans-4,15,16,17-tetrahydro-3h-cyclopenta[a]phenanthrene-3,4-diol;trans-4,15,16,17,-tetrahydro-3h-cyclopenta(a)phenanthrene-3,4-diol","c12c(c3c(c4c(C(O)C(O)C=C4)cc3)cc1)CCC2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["145667-73-8","(s)-1,2-dibromo-3-chloropropane","C(Br)(CCl)CBr","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation >> Vicinal Dihaloalkanes",1,"SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> 1,2-Dihaloalkanes",1,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aliphatic halogens",1,"Aliphatic halogen",1]
["146177-60-8","2-amino-3,4,5,8-tetramethylimidazo[4,5-f]quinoxaline;3h-imidazo(4,5-f)quinoxalin-2-amine, 3,4,5,8-tetramethyl-","c12c(c3c(c(C)c1C)N(C)C(N)=N3)nc(C)cn2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary (unsaturated) heterocyclic amine",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Imidazole, benzimidazole (Nongenotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons",1,"H-acceptor-path3-H-acceptor|Heterocyclic Polycyclic Aromatic Hydrocarbons",1]
["146795-28-0","n-(2-methoxyphenyl)-5-nitro-3-thiophenecarboxamide;3-thiophenecarboxamide, n-(2-methoxyphenyl)-5-nitro-","C(=O)(C1C=C(N(=O)=O)SC=1)Nc1c(OC)cccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Unsaturated heterocyclic nitro",1,"alpha,beta-unsaturated carbonyls (Genotox)|Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"alpha,beta-unsaturated carbonyls|Nitro-aromatic",1,"alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["146795-33-7","n-(2-ethylphenyl)-5-nitro-3-thiophenecarboxamide;3-thiophenecarboxamide, n-(2-ethylphenyl)-5-nitro-","C(=O)(C1C=C(N(=O)=O)SC=1)Nc1c(CC)cccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Unsaturated heterocyclic nitro",1,"alpha,beta-unsaturated carbonyls (Genotox)|Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"alpha,beta-unsaturated carbonyls|Nitro-aromatic",1,"alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["146795-39-3","n-(3-chlorophenyl)-5-nitro-3-thiophenecarboxamide;3-thiophenecarboxamide, n-(3-chlorophenyl)-5-nitro-","C(=O)(C1C=C(N(=O)=O)SC=1)Nc1cc(Cl)ccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Unsaturated heterocyclic nitro",1,"alpha,beta-unsaturated carbonyls (Genotox)|Halogenated benzene (Nongenotox)|Nitro-aromatic (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"alpha,beta-unsaturated carbonyls|Nitro-aromatic",1,"alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["146818-20-4","n-(4-ethylphenyl)-5-nitro-3-thiophenecarboxamide;3-thiophenecarboxamide, n-(4-ethylphenyl)-5-nitro-","C(=O)(C1C=C(N(=O)=O)SC=1)Nc1ccc(CC)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Unsaturated heterocyclic nitro",1,"alpha,beta-unsaturated carbonyls (Genotox)|Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"alpha,beta-unsaturated carbonyls|Nitro-aromatic",1,"alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["146925-38-4","dichloro-(s)-3-aminohexahydropyridine platinum (ii)","C1(N)CCCCN1_Cl{-}.[Pt]{2+}.Cl{-}","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0]
["148193-34-4","3-methoxy-5-(oxiranylmethoxy)-1,2-benzisothiazole;1,2-benzisothiazole, 3-methoxy-5-(oxiranylmethoxy)-","C1(OC)c2c(ccc(OCC3CO3)c2)SN=1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides",1,"Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Epoxides and aziridines",1,"Epoxides and aziridines|H-acceptor-path3-H-acceptor",1]
["148193-38-8","6-(oxiranylmethoxy)-2-(oxiranylmethyl)-1,2-benzisothiazol-3(2h)-one;1,2-benzisothiazol-3(2h)-one, 6-(oxiranylmethoxy)-2-(oxiranylmethyl)-","C1(=O)c2c(cc(OCC3CO3)cc2)SN1CC1CO1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides",1,"Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Epoxides and aziridines",1,"Epoxides and aziridines|H-acceptor-path3-H-acceptor",1]
["150445-96-8","5-nitro-1-(phenylmethyl)-1h-benzimidazole-2-carboxaldehyde,o-((2-nitrophenyl)methyl)oxime;5-nitro-1-(phenylmethyl)-1h-benzimidazole-2-carboxaldehyde, o-((2-nitrophenyl)methyl)oxime","c12c(cc(N(=O)=O)cc1)N=C(C=NOCc1c(N(=O)=O)cccc1)N2Cc1ccccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes|SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Imidazole, benzimidazole (Nongenotox)|Nitro-aromatic (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"No alert found",0,"Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["151378-31-3","(11s-(1ar*,11alpha,12beta,12aalpha))-12,12a-dihydro-11h-benzo[7,8]fluorantheno[1,10b-b]oxirene-11,12;11h-benzo(7,8)fluorantheno(1,10b-b)oxirene-11,12-diol, 12,12a-dihydro-, (11s-(1ar*,11-alpha,12-beta,12a-alpha))-","c12C34c5c(c6c(cccc6)cc5)-c1cccc2C(O)C(O)C3O4","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides",1,"Epoxides and aziridines (Genotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Epoxides and aziridines|Polycyclic Aromatic Hydrocarbons",1,"Epoxides and aziridines|H-acceptor-path3-H-acceptor|Polycyclic Aromatic Hydrocarbons",1]
["153260-28-7","4,5-dihydro-4,4-dimethylthiazolo[4,5-f]quinolin-2-amine","C12c3c(CC(C)(C)C=1SC(N)=N2)nccc3","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary (unsaturated) heterocyclic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"Primary aromatic amine, hydroxyl amine and its derived esters",1]
["153654-33-2","2-hydroxy-3-nitrocarbazole","c12-c3c(cc(O)c(N(=O)=O)c3)Nc1cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 98(NR)","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons|Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Heterocyclic Polycyclic Aromatic Hydrocarbons|Nitro-aromatic",1]
["155144-64-2","ro 47-3359;ro-473359;pyrimido(1,6-a)benzimidazole-1,3(2h,5h)-dione, 5-cyclopropyl-7-(2,6-dimethyl-4-pyridinyl)-8-fluoro-2-hydroxy-","c1(-c2c(F)cc3c(c2)N(C2CC2)C2=CC(=O)N(O)C(=O)N32)cc(C)nc(C)c1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 102","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> N-hydroxylamines|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"No alert found",0,"alpha,beta-unsaturated carbonyls (Genotox)|Dimethylpyridine (Nongenotox)|Structural alert for nongenotoxic carcinogenicity|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"alpha,beta-unsaturated carbonyls",1,"alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor",1]
["155164-54-8","4,5-dichloro-2-(ethylsulfonyl)-3(2h)-pyridazinone","C1(=O)C(Cl)=C(Cl)C=NN1S(=O)(=O)CC","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives",1,"No alert found",0,"alpha,beta-unsaturated carbonyls (Genotox)|Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives",1,"alpha,beta-unsaturated carbonyls|Hydrazine",1,"alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor|Hydrazine",1]
["156243-44-6","3,5-dimethyl-6-(methylamino)quinoxaline;6-quinoxalinamine, n,3,5-trimethyl-","c1(NC)c(C)c2c(cc1)ncc(C)n2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Secondary aromatic amine",1,"Aromatic mono-and dialkylamine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aromatic mono-and dialkylamine",1,"Aromatic mono- and dialkylamine|H-acceptor-path3-H-acceptor",1]
["157996-59-3","9-amino-2-bromoacridine","c12c(c(N)c3c(ccc(Br)c3)n1)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition",1,"Halogenated benzene (Nongenotox)|Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"No alert found",0,"Heterocyclic Polycyclic Aromatic Hydrocarbons|Primary aromatic amine,hydroxyl amine and its derived esters",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["158729-18-1","8-quinolinesulfonic acid, 2,4-dichlorophenyl ester","c1(S(=O)(=O)Oc2c(Cl)cc(Cl)cc2)c2c(cccn2)ccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["159092-67-8","1,6-dinitrophenanthrene;phenanthrene, 1,6-dinitro-","c1(N(=O)=O)c2c(c3c(ccc(N(=O)=O)c3)cc2)ccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Nitro-aromatic|Polycyclic Aromatic Hydrocarbons",1,"Nitro-aromatic|Polycyclic Aromatic Hydrocarbons",1]
["159092-79-2","1,7,9-trinitrophenanthrene;phenanthrene, 1,7,9-trinitro-","c1(N(=O)=O)c2c(c3c(c(N(=O)=O)ccc3)c1)ccc(N(=O)=O)c2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Nitro-aromatic|Polycyclic Aromatic Hydrocarbons",1,"Nitro-aromatic|Polycyclic Aromatic Hydrocarbons",1]
["159092-84-9","3,6,9-trinitrophenanthrene;phenanthrene, 3,6,9-trinitro-","c1(N(=O)=O)c2c(c3c(ccc(N(=O)=O)c3)c1)cc(N(=O)=O)cc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Nitro-aromatic|Polycyclic Aromatic Hydrocarbons",1,"Nitro-aromatic|Polycyclic Aromatic Hydrocarbons",1]
["160543-00-0","7-hydroxymethyl-9-methylbenz[c]acridine;7-hydroxymethyl-9-methylbenz(c)acridine","c12c(c3c(c(CO)c4c(ccc(C)c4)n3)cc1)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition|SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Heterocyclic Polycyclic Aromatic Hydrocarbons",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons",1]
["160543-02-2","9-hydroxymethyl-7-methylbenz[c]acridine;9-hydroxymethyl-7-methylbenz(c)acridine","c12c(c3c(c(C)c4c(ccc(CO)c4)n3)cc1)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition|SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Heterocyclic Polycyclic Aromatic Hydrocarbons",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons",1]
["161696-99-7","2,5-dimethyl-6-(methylamino)quinoxaline;6-quinoxalinamine, n,2,5-trimethyl-","c1(NC)c(C)c2c(cc1)nc(C)cn2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Secondary aromatic amine",1,"Aromatic mono-and dialkylamine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aromatic mono-and dialkylamine",1,"Aromatic mono- and dialkylamine|H-acceptor-path3-H-acceptor",1]
["161697-02-5","5-methyl-6-(methylamino)-3-phenylquinoxaline;6-quinoxalinamine, n,5-dimethyl-3-phenyl-","c1(-c2ccccc2)cnc2c(c(C)c(NC)cc2)n1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Secondary aromatic amine",1,"Aromatic mono-and dialkylamine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aromatic mono-and dialkylamine",1,"Aromatic mono- and dialkylamine|H-acceptor-path3-H-acceptor",1]
["162050-09-1","3,4-dichloro-5-nitro-2-(bromoacetyl)furan;ethanone, 2-bromo-1-(3,4-dichloro-5-nitro-2-furanyl)-","C(=O)(C1=C(Cl)C(Cl)=C(N(=O)=O)O1)CBr","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Unsaturated heterocyclic nitro",1,"Aliphatic halogens (Genotox)|alpha,beta-unsaturated carbonyls (Genotox)|Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives",1,"Aliphatic halogens|alpha,beta-unsaturated carbonyls|Nitro-aromatic",1,"Aliphatic halogen|alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["163275-68-1","7,10-difluorobenzo[f]quinoline;7,10-difluorobenzo(f)quinoline","c12c(c3c(c(F)ccc3F)cc1)cccn2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Halogenated benzene (Nongenotox)|Halogenated PAH (naphthalenes, biphenyls, diphenyls) (Nongenotox)|Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"No alert found",0,"Heterocyclic Polycyclic Aromatic Hydrocarbons",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons",1]
["165550-82-3","n-hydroxy-n-(4-phenoxyphenyl)formamide","c1(Oc2ccccc2)ccc(N(O)C=O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> N-hydroxylamines",1,"No alert found",0,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> N-hydroxylamines",1,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"1-phenoxy-benzene|H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["165606-93-9","3,3-dichloro-4-(dichloromethylene)-2,5-pyrrolidinedione;2,5-pyrrolidinedione, 3,3-dichloro-4-(dichloromethylene)-","C1(=O)C(Cl)(Cl)C(=C(Cl)Cl)C(=O)N1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives",1,"No alert found",0,"alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives",1,"alpha,beta-unsaturated carbonyls",1,"alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor",1]
["172374-60-6","n-[4-[4-(acetylamino)phenoxy]phenyl]-n-(acetyloxy)acetamide;n-(4-(4-(acetylamino)phenoxy)phenyl)-n-(acetyloxy)acetamide","c1(Oc2ccc(NC(C)=O)cc2)ccc(N(C(C)=O)OC(C)=O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> SN2 at Nitrogen Atom|SN2 >> SN2 at Nitrogen Atom >> N-acetoxyamines",1,"No alert found",0,"Aromatic N-acyl amine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> SN2 at Nitrogen Atom|SN2 >> SN2 at Nitrogen Atom >> N-acetoxyamines",1,"Aromatic N-acyl amine",1,"1-phenoxy-benzene|Aromatic N-acyl amine|H-acceptor-path3-H-acceptor",1]
["173066-87-0","3-ethynylfluoranthene",null,"Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","(N/A)",1,"(N/A)",1,"(N/A)",1,"(N/A)",1,"(N/A)",1,"(N/A)",1]
["180913-77-3","1-acetamidopyrene-4,5-quinone;acetamide, n-(4,5-dihydro-4,5-dioxo-1-pyrenyl)-","c12C(=O)C(=O)c3c4c(c(NC(C)=O)cc3)ccc(c14)ccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 98(1,8-DNP6)","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Schiff base formers|Schiff base formers >> Direct Acting Schiff Base Formers|Schiff base formers >> Direct Acting Schiff Base Formers >> Alpha-beta-dicarbonyl",1,"Aromatic N-acyl amine (Genotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Aromatic N-acyl amine|Polycyclic Aromatic Hydrocarbons",1,"Aromatic N-acyl amine|H-acceptor-path3-H-acceptor|Polycyclic Aromatic Hydrocarbons",1]
["187585-43-9","3,3'-dinitro-4'-methoxyflavone;4h-1-benzopyran-4-one, 2-(4-methoxy-3-nitrophenyl)-3-nitro-","C1(N(=O)=O)C(=O)c2c(cccc2)OC=1c1cc(N(=O)=O)c(OC)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["188970-77-6","5,9-dinitro-7h-dibenzo[c,g]carbazole;5,9-dinitro-7h-dibenzo(c,g)carbazole","c12-c3c4c(c(N(=O)=O)cc3Nc1cc(N(=O)=O)c1c2cccc1)cccc4","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons|Nitro-aromatic",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons|Nitro-aromatic",1]
["192705-52-5","3-acetamidofluoranthen-2-ol","c1(O)c(NC(C)=O)c2c3c(c4c(c3ccc2)cccc4)c1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Aromatic N-acyl amine (Genotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aromatic N-acyl amine|Polycyclic Aromatic Hydrocarbons",1,"Aromatic N-acyl amine|H-acceptor-path3-H-acceptor|Polycyclic Aromatic Hydrocarbons",1]
["199536-64-6","3-bromo-4-(bromomethyl)-5-hydroxy-2(5h)-furanone","C1(=O)C(Br)=C(CBr)C(O)O1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives",1,"SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides",1,"Aliphatic halogens (Genotox)|alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives",1,"Aliphatic halogens|alpha,beta-unsaturated carbonyls",1,"Aliphatic halogen|alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor",1]
["199536-82-8","3-chloro-4-(dibromomethyl)-2(5h)-furanone","C1(=O)C(Cl)=C(C(Br)Br)CO1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives",1,"No alert found",0,"Aliphatic halogens (Genotox)|alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives",1,"Aliphatic halogens|alpha,beta-unsaturated carbonyls",1,"Aliphatic halogen|alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor",1]
["220168-39-8","n-(benzoyloxy)-n-(phenylmethoxy)benzamide;benzamide, n-(benzoyloxy)-n-(phenylmethoxy)-","C(=O)(c1ccccc1)N(OC(=O)c1ccccc1)OCc1ccccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Nitrenium ion and/or Acyl ion formation|SN1 >> Nitrenium ion and/or Acyl ion formation >> N-acyloxy-N-alkoxyamides",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes|SN2|SN2 >> SN2 at a Nitrogen atom|SN2 >> SN2 at a Nitrogen atom >> N-acyloxy-N-alkoxyamides",1,"No alert found",0,"SN1|SN1 >> Nitrenium ion and/or Acyl ion formation|SN1 >> Nitrenium ion and/or Acyl ion formation >> N-acyloxy-N-alkoxyamides",1,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["220168-41-2","n-[(4-methoxybenzoyl)oxy]-n-(phenylmethoxy)benzamide;benzamide, n-((4-methoxybenzoyl)oxy)-n-(phenylmethoxy)-","C(=O)(c1ccc(OC)cc1)ON(C(=O)c1ccccc1)OCc1ccccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Nitrenium ion and/or Acyl ion formation|SN1 >> Nitrenium ion and/or Acyl ion formation >> N-acyloxy-N-alkoxyamides",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes|SN2|SN2 >> SN2 at a Nitrogen atom|SN2 >> SN2 at a Nitrogen atom >> N-acyloxy-N-alkoxyamides",1,"No alert found",0,"SN1|SN1 >> Nitrenium ion and/or Acyl ion formation|SN1 >> Nitrenium ion and/or Acyl ion formation >> N-acyloxy-N-alkoxyamides",1,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["226711-13-3","2-amino-4,6-dinitrobenzyl alcohol",null,"Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","(N/A)",1,"(N/A)",1,"(N/A)",1,"(N/A)",1,"(N/A)",1,"(N/A)",1]
["279242-17-0","4-(1,1-dimethylethyl)-4'-nitroso-1,1'-biphenyl;1,1'-biphenyl, 4-(1,1-dimethylethyl)-4'-nitroso-","C(C)(C)(C)c1ccc(-c2ccc(N=O)cc2)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitroso",1,"Aromatic nitroso group (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"Aromatic nitroso group",1,"Aromatic nitroso group  |H-acceptor-path3-H-acceptor",1]
["321864-72-6","9,10,10a,11a-tetrahydrotriphenyleno[1,2-b]thiirene",null,"Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","(N/A)",1,"(N/A)",1,"(N/A)",1,"(N/A)",1,"(N/A)",1,"(N/A)",1]
["357204-49-0","n-[(3-methoxybenzoyl)oxy]-n-(phenylmethoxy)benzamide","C(=O)(c1cc(C)ccc1)ON(C(=O)c1ccccc1)OCc1ccccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Nitrenium ion and/or Acyl ion formation|SN1 >> Nitrenium ion and/or Acyl ion formation >> N-acyloxy-N-alkoxyamides",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes|SN2|SN2 >> SN2 at a Nitrogen atom|SN2 >> SN2 at a Nitrogen atom >> N-acyloxy-N-alkoxyamides",1,"No alert found",0,"SN1|SN1 >> Nitrenium ion and/or Acyl ion formation|SN1 >> Nitrenium ion and/or Acyl ion formation >> N-acyloxy-N-alkoxyamides",1,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["515875-77-1","5-amino-n-butyl-2-(p-tolyloxy)-benzamide",null,"Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","(N/A)",1,"(N/A)",1,"(N/A)",1,"(N/A)",1,"(N/A)",1,"(N/A)",1]
["N/A","anti-(+/-)-1,2,3,4-tetrahydrobenzo[c]phenanthrene-3,4-diol-1,2-epoxide",null,"Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","(N/A)",1,"(N/A)",1,"(N/A)",1,"(N/A)",1,"(N/A)",1,"(N/A)",1]
["33973-15-8","2a,7b-dihydro-2a,7b-dimethyl-1,2-dioxeto[3,4-b]benzofuran;2a,7b-dihydro-2a,7b-dimethyl-1,2-dioxeto(3,4-b)benzofuran","C12(C)C(C)(c3c(cccc3)O1)OO2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","YES","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Organic Peroxy Compounds",1,"No alert found",0,"No alert found",0,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Organic Peroxy Compounds",1,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["60877-91-0","3-amino-n-((3-hydroxyphenyl)methylene)-2,1-benzisothiazole;3-amino-n-((3-hydroxyphenyl)methylene)-2,1-benisothiazole","c12c(C(N=Cc3cc(O)ccc3)SN1)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["87425-68-1","7-bromobenz[a]anthracene 3,4-dihydrodiol;7-bromobenz(a)anthracene 3,4-dihydrodiol","c12c(c(Br)c3c(c4c(C(O)C(O)C=C4)cc3)c1)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","YES","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition",1,"Halogenated benzene (Nongenotox)|Halogenated PAH (naphthalenes, biphenyls, diphenyls) (Nongenotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"No alert found",0,"Polycyclic Aromatic Hydrocarbons",1,"H-acceptor-path3-H-acceptor|Polycyclic Aromatic Hydrocarbons",1]
["110207-65-3","ethyl 1,2,3-triazino[5,4-b]indole-4-carboxylate n(3)-oxide;ethyl 1,2,3-triazino(5,4-b)indole-4-carboxylate n(3)-oxide","C(=O)(c1c2c(-c3c(cccc3)N2C)nnn1=O)OCC","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","YES","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Aromatic ring N-oxide (Genotox)|Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aromatic ring N-oxide|Heterocyclic Polycyclic Aromatic Hydrocarbons",1,"Aromatic ring N-oxide|H-acceptor-path3-H-acceptor|Heterocyclic Polycyclic Aromatic Hydrocarbons",1]
["113124-70-2","3-methoxy-1h-indolo[3,2-c]quinoline-1,4(11h)-dione;1h-indolo(3,2-c)quinoline-1,4(11h)-dione, 3-methoxy-","C1(OC)C(=O)c2c(C(=O)C=1)c1c(-c3c(cccc3)N1)cn2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","YES","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> Quinones and Quinone-type Chemicals|Michael addition >> Quinones and Quinone-type Chemicals >> Quinones",1,"alpha,beta-unsaturated carbonyls (Genotox)|Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Quinones (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"alpha,beta-unsaturated carbonyls|Heterocyclic Polycyclic Aromatic Hydrocarbons|Quinones",1,"alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor|Heterocyclic Polycyclic Aromatic Hydrocarbons|Quinones",1]
["133762-79-5","2,6-diamino-purin-9-yl","c1(N)c2c(nc(N)n1)N(CC(O)CN=N#N)=CN2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","YES","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"No alert found",0,"Azide and triazene groups (Genotox)|Imidazole, benzimidazole (Nongenotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"No alert found",0,"Azide and triazene groups|Primary aromatic amine,hydroxyl amine and its derived esters",1,"Azide and triazene groups|H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["139495-76-4","ro 46-6962;ccris 8207","c1(N2CCN(C)CC2)c(F)cc2c(c1)N(C1CC1)C1=CC(=O)NC(=O)N21","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","YES","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 102","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine",1,"alpha,beta-unsaturated carbonyls (Genotox)|Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"No alert found",0,"alpha,beta-unsaturated carbonyls",1,"alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor",1]
["142438-65-1","5-isopropyl-4-methyl-3-(methoxycarbonyl)-3,4-didehydro-gamma-butyrolactone","C(=O)(C1C(=O)OC(C(C)C)C=1C)OC","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","YES","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"alpha,beta-unsaturated carbonyls",1,"alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor",1]
["158470-95-2","2,5,9,11-tetramethyl-5h-quinindoline","c12c(C3C(N(C)c4c(cc(C)cc4)C3C)=N1)cc(C)cc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","YES","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0]
["181256-48-4","hydrazinothiazolo[4,5-a]acridin-9-one;hydrazinothiazolo(4,5-a)acridin-9-one","c12c(c(O)c3c4c(ccc3n1)N=C(NN)S4)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","YES","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Nucleophilic addition|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization >> Hydrazine Derivatives|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Hydrazine Derivatives",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition|SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Hydrazine",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Nucleophilic addition|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization >> Hydrazine Derivatives|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Hydrazine Derivatives",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons|Hydrazine",1,"H-acceptor-path3-H-acceptor|Heterocyclic Polycyclic Aromatic Hydrocarbons|Hydrazine",1]
["345667-61-0","trans-4'-isopropyl-4-nitrostilbene;benzene, 1-(1-methylethyl)-4-[(1e)-2-(4-nitrophenyl)ethenyl]-","c1(C=Cc2ccc(C(C)C)cc2)ccc(N(=O)=O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","YES","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"Nitro-aromatic",1]
["83996-50-3","ptt-119;ambamustine","C(=O)(C(CC(=O)C(Cc1cc(N(CCCl)CCCl)ccc1)NC(=O)C(N)Cc1ccc(F)cc1)CCSC)OCC_Cl","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found|SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Nitrogen Mustards",1,"No alert found|SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine|SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> Mustards",1,"Halogenated benzene (Nongenotox)|No alert found|S or N mustard (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found|S or N mustard",1,"H-acceptor-path3-H-acceptor|No alert found|S or N mustard",1]
["345667-60-9","trans-4'-ethyl-4-nitrostilbene;benzene, 1-ethyl-4-[(1e)-2-(4-nitrophenyl)ethenyl]-","c1(C=Cc2ccc(CC)cc2)ccc(N(=O)=O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","YES","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"Nitro-aromatic",1]
["64742-34-3","petroleum distillates, chemically neutralized heavy naphthenic;distillates (petroleum), chemically neutralized heavy naphthenic;distillates, petroleum, chemically neutralized heavy naphthenic;distillates(petroleum),chemicallyneutralisedheavynaphthenic","C1(CC)C2C(CC)CC(CCC)CC2CC(CCC)C1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","YES","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0]
["56-40-6","glycine;amino-acetic acid;glycine, amino-acetic acid;glycine [inn];glycine iron sulphate (1:1);56-40-6","C(=O)(O)CN","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["56-84-8","l-aspartic acid;(s)-2-amino-succinic acid;aspartic acid;dl-aspartic acid;aspartic acid, l-","C(=O)(O)C(N)CC(=O)O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["62-44-2","n-(4-ethoxyphenyl)acetamide;n-acetyl-4-ethoxyaniline;4-ethoxyaniline;phenacetin;p-phenacetin;acetamide, n-(4-ethoxyphenyl)-;4-ethoxyacetanilide;acetophenetidin;p-acetophenetidide;n-[4-(ethyloxy)phenyl]acetamide;acetamide, n-(4-ethoxyphenol)-;62-44-2;<i>n</i>-ac","c1(OCC)ccc(NC(C)=O)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Aromatic N-acyl amine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aromatic N-acyl amine",1,"Aromatic N-acyl amine|H-acceptor-path3-H-acceptor",1,null,0]
["65-45-2","salicylamide (2-hydroxybenzamide);2-hydroxybenzamide;2-hydroxy-benzamide;o-hydroxybenzamide;salicylamide;salicylanide;benzamide, 2-hydroxy-;65-45-2","C(N)(=O)c1c(O)cccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["86-30-6","benzenamine, n-nitroso-n-phenyl-;n-nitrosodiphenylamine;diphenylnitrosamine;n-nitrosodiphenylamine [diphenyl nitrosamine];nitrosodiphenylamine, n-;nitrosodiphenylamine;diphenylamine, n-nitroso-;n-nitroso-n-phenylaniline;n-nitroso-n-phenylbenzenamine;86-30-6","c1(N(c2ccccc2)N=O)ccccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"SN1|SN1 >> Nitrosation-SN1|SN1 >> Nitrosation-SN1 >> N-Nitroso-SN1",1,"Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"Alkyl and aryl N-nitroso groups",1,"Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor",1,null,0]
["98-86-2","acetophenone;1-phenyl-ethanone;ethanone, 1-phenyl-;1-phenylethanone;98-86-2","C(C)(=O)c1ccccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["100-47-0","benzonitrile","C(#N)c1ccccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["106-60-5","5-aminolevulinic acid;5-amino-4-oxovaleric acid;pentanoic acid, 5-amino-4-oxo-;5-amino-4-oxopentanoic acid;d-aminolevulinic acid","C(=O)(O)CCC(=O)CN","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["115-20-8","2,2,2-trichloroethanol;trichloroethanol, 2,2,2-;2,2,2-trichloro-ethanol;ethanol, 2,2,2-trichloro-;trichloroethanol","C(Cl)(Cl)(Cl)CO","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Inconclusive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes",1,"No alert found",0,"Alkyl halides (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes",1,"No alert found",0,"No alert found",0,null,0]
["122-34-9","1,3,5-triazine-2,4-diamine, 6-chloro-n2,n4-diethyl-;6-chloro-n,n'-diethyl-1,3,5-triazine-2,4-diamine;simazine;1,3,5-triazine-2,4-diamine, 6-chloro-n,n'-diethyl-;s-triazine, 2-chloro-4,6-bis(ethylamino)-;2-chloro-4,6-bis(ethylamino)-s-triazine","c1(Cl)nc(NCC)nc(NCC)n1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Aromatic mono-and dialkylamine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aromatic mono-and dialkylamine",1,"Aromatic mono- and dialkylamine",1,null,0]
["127-18-4","ethene, 1,1,2,2-tetrachloro-;tetrachloroethylene;perchloroethylene;1,1,2,2-tetrachloroethylene;tetrachloroethene;ethene, tetrachloro-;perchlorethylene;tetrachloroethene (aka tetrachlorethylene);tetrachloroethylene (tce);ethylene, tetrachloro-;tetrachloroethylene,","C(Cl)(Cl)=C(Cl)Cl","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Equivocal","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Structural alert for nongenotoxic carcinogenicity|Trichloro (or fluoro) ethylene and Tetrachloro (or fluoro) ethylene (Nongenotox)",1,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["143-16-8","di-n-hexylamine;dihexylamine;1-hexanamine, n-hexyl-;1-hexylaminohexane;n-hexylhexan-1-amine;n-hexyl-1-hexanamine;143-16-8","C(CCCCC)NCCCCCC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["634-67-3","2,3,4-trichloroaniline;benzenamine, 2,3,4-trichloro- (9ci)","c1(Cl)c(Cl)c(Cl)c(N)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"Primary aromatic amine, hydroxyl amine and its derived esters",1,null,0]
["1634-04-4","tert-butyl methyl ether;butyl methyl ether, tert-;methyl tert-butyl ether;propane, 2-methoxy-2-methyl-;methyl t-butyl ether;methyl-t-butyl ether;2-methoxy-2-methylpropane;2-methoxy-2-methyl-propane;ether, tert-butyl methyl\"\"\";ether, tert-butyl methyl;tert-butylmethyl ether;methyl-tertiary-butyl ether;methyl tertiary-butyl ether;1,1-dimethylethyl methyl ether;ether, tert-butyl methyl\";1634-04-4","C(C)(C)(C)OC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["2439-35-2","2-(dimethylamino)ethyl acrylate;acrylic acid 2-dimethylamino-ethyl ester;2-propenoic acid, 2-(dimethylamino)ethyl ester;acrylic acid, 2-(dimethylamino)ethyl ester;2-(dimethylamino)ethyl prop-2-enoate;2439-35-2","C(=O)(C=C)OCCN(C)C","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated esters|SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["21725-46-2","cyanazine;propanenitrile, 2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-2-methyl-;2-{[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino}-2-methylpropanenitrile;2-[(4-chloro-6-(ethylamino)-s-triazin-2-yl)amino]-2-methylpropionitrile;propanenitrile, 2-((4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl)amino)-2-methyl-;21725-46-2","C(#N)C(C)(C)Nc1nc(Cl)nc(NCC)n1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Aromatic mono-and dialkylamine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aromatic mono-and dialkylamine",1,"Aromatic mono- and dialkylamine|H-acceptor-path3-H-acceptor",1,null,0]
["50-78-2","acetylsalicylic acid;aspirin;2-acetoxy-benzoic acid;2-(acetyloxy)benzoic acid;acetyl-salicylic acid;o-acetylsalicylic acid;benzoic acid, 2-(acetyloxy)-;asprin;rhodinesalicylic acid acetate;aspirin [ban:jan];acetyl salicylic acid;50-78-2;2-acetoxybenzoic acid","C(=O)(O)c1c(OC(C)=O)cccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Specific Acetate Esters|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Specific Acetate Esters|SN2|SN2 >> Acylating agents|SN2 >> Acylating agents >> Specific Acetate Esters|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Specific Acetate Esters",1,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["121-75-5","malathion;butanedioic acid, [(dimethoxyphosphinothioyl)thio]-, diethylester;malathione;butanedioic acid, [(dimethoxyphosphinothioyl)thio]-, diethyl ester;diethyl 2-[(dimethoxyphosphorothioyl)sulfanyl]succinate;[(dimethoxyphosphinothioyl)thio]butanedioic acid, diethyl ester;malathion (cythion formulation);malathion/xylene mixture (malathion 5e);diethyl 2-[(dimethoxyphosphorothioyl)thio]succinate;succinic acid, mercapto-, diethyl ester, s-ester with o,o-dimethylphosphorodithioate;121-75-5","C(=O)(C(CC(=O)OCC)SP(=S)(OC)OC)OCC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"No alert found",0,"No alert found",0,"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["60-35-5","acetamide;carbamoylmethane;60-35-5","C(C)(N)=O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["75-05-8","acetonitrile;acetonitrile [aka ethyl nitrile];75-05-8","C(C)#N","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["99-57-0","2-amino-4-nitrophenol;amino-4-nitrophenol, 2-;phenol, 2-amino-4-nitro-;2amino4nitrophenol;99-57-0","c1(O)c(N)cc(N(=O)=O)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Nitro-aromatic (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic|Primary aromatic amine,hydroxyl amine and its derived esters",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic|Primary aromatic amine, hydroxyl amine and its derived esters",1,null,0]
["100-52-7","benzaldehyde;100-52-7","c1(C=O)ccccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Simple aldehyde (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Simple aldehyde",1,"Simple aldehyde",1,null,0]
["91-76-9","benzoguanamine;2,4-diamino-6-phenyl-1,3,5-triazine;2,4-diamino-6-phenyl-s-triazine;6-phenyl-1,3,5-triazine-2,4-diyldiamine;1,3,5-triazine-2,4-diamine, 6-phenyl-;s-triazine, 2,4-diamino-6-phenyl-;6-phenyl-1,3,5-triazine-2,4-diamine","c1(-c2ccccc2)nc(N)nc(N)n1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"No alert found",0,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"Primary aromatic amine, hydroxyl amine and its derived esters",1,null,0]
["80-05-7","phenol, 4,4'-(1-methylethylidene)bis-;2,2-bis (4'-hydroxyphenyl) propane;bisphenol a;diphenylolpropane;bis-phenol a;phenol, 4,4 -(1-methylethylidene)bis-;4,4'-isopropylidenediphenol;phenol, 4,4’-(1-methylethylidene)bis-;bisphenol a (bpa);4,4'-(1-methylethylidene)bisphenol;phenol, 4,4'-isopropylidenedi-;4,4'-propane-2,2-diyldiphenol;bisphenola(4,4?isopropylidenediphenol);2,2-bis(4-hydroxyphenyl)propane;2,2-bis(4''-hydroxyphenyl) propane;80-05-7","c1(C(C)(C)c2ccc(O)cc2)ccc(O)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["96-48-0","butyrolactone;2(3h)-furanone, dihydro-;gamma-butyrolactone;g-butyrolactone;butyrolactone, y-;2(3h)-furanone, dihydro-\"\"\";?-butyrolactone;dihydrofuran-2(3h)-one;γ-butyrolacetone;butyrolactone, -gamma;oxolan-2-one;γ-butyrolactone;gama-butyrolactone;2(3h)-furanone, dihydro-\"","C1(=O)CCCO1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Michael addition|Michael addition >> alpha, beta-unsaturated carabonyl compounds|Michael addition >> alpha, beta-unsaturated carabonyl compounds >> Four- and Five-Membered Lactones|SN2|SN2 >> Ring opening SN2 reaction|SN2 >> Ring opening SN2 reaction >> Four- and Five-Membered Lactones",1,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor|Oxolane",1,null,0]
["404-86-4","capsaicin;6-nonenamide, n- (4-hydroxy-3-methoxyphenyl)meth;6-nonenamide, n- (4-hydroxy-3-methoxyphenyl)methyl -8-methyl-, (e)-;6-nonenamide, 8-methyl-n-vanillyl-, (e)-;6-nonenamide, n-((4-hydroxy-3-methoxyphenyl)methyl)-8-methyl-, (e)-;\"\"capsaicin;6-nonenamide, n-((4-hydroxy-3-methoxyphenyl)methyl)-8-methyl-, (e)-\"\"\";6-nonenamide, n-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methyl-, (e)-;6-nonenamide, n-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methyl-, (6e)-;(6e)-n-(4-hydroxy-3-methoxybenzyl)-8-methylnon-6-enamide;(6e)-n-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methyl-6-nonenamide;(6e)-n-{[4-hydroxy-3-(methyloxy)phenyl]methyl}-8-methylnon-6-enamide","c1(O)c(OC)cc(CNC(=O)CCCCC=CC(C)C)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["563-47-3","3-chloro-2-methylprop-1-ene;chloro-2-methylpropene, 3-;3-chloro-2-methylpropene;1-propene, 3-chloro-2-methyl-;3-chloro-2-methylpropene, technical grade (containing 5% dimethylvinyl  chloride);3-chloro-2-methylpropene, technical grade;3-chloro-2-methyl-1-propene;propene, 3-chloro-2-methyl-","C(=C)(C)CCl","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups",1,"SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides",1,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups",1,"Aliphatic halogens",1,"Aliphatic halogen",1,null,0]
["2698-41-1","o-chlorobenzalmalononitrile;o-chlorobenzalmalonitrile;o-chlorobenzylidenemalononitrile;[(2-chlorophenyl)methylene]malononitrile;propanedinitrile, [(2-chlorophenyl)methylene]-;(2-chlorobenzylidene)propanedinitrile;(o-chlorobenzylidene)malononitrile;propanedinitrile, (2-chlorophenyl)methylene -;malononitrile, (o-chlorobenzylidene)-;propanedinitrile, Х(2-chlorophenyl)methyleneе-;[(2-chlorophenyl)methylene]propanedinitrile;(2-chlorobenzylidene)malononitrile;propanedinitrile, ((2-chlorophenyl)methylene)-;2698-41-1","C(#N)C(C#N)=Cc1c(Cl)cccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["52214-84-3","ciprofibrate;propanoic acid, 2-[4-(2,2-dichlorocyclopropyl)phenoxy]-2-methyl-\"\"\";2-[4-(2,2-dichlorocyclopropyl)phenoxy]-2-methylpropanoic acid;2-{[4-(2,2-dichlorocyclopropyl)phenyl]oxy}-2-methylpropanoic acid","C(=O)(O)C(C)(C)Oc1ccc(C2C(Cl)(Cl)C2)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Inconclusive","CCRIS database,Toxnet databases","TA 102","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["131-17-9","diallylphthalate;phthalic acid, diallylester;diallyl phthalate;1,2-benzenedicarboxylic acid, 1,2-di-2-propen-1-yl ester;diallyl phtalate;1,2-benzenedicarboxylic acid, di-2-propenyl ester;phthalic acid diallylester;phthalic acid, diallyl ester","C(=O)(c1c(C(=O)OCC=C)cccc1)OCC=C","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Phtalate (or buthyl) diesters and monoesters (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["439-14-5","diazepam;2h-1,4-benzodiazepin-2-one, 7-chloro-1,3-dihydro-1-methyl-5-phenyl-;7-chloro-1-methyl-5-phenyl-1,3-dihydro-2h-1,4-benzodiazepin-2-one;7-chloro-1,3-dihydro-1-methyl-5-phenyl-2h-1,4 benzodiazepine","c1(C2c3c(ccc(Cl)c3)N(C)C(=O)CN=2)ccccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["75-71-8","methane, dichlorodifluoro-;dichlorodifluoromethane;dichloro(difluoro)methane","C(F)(F)(Cl)Cl","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["119-84-6","3,4-dihydrocoumarin;2h-1-benzopyran-2-one, 3,4-dihydro-;dihydrocoumarin, 3,4-;dihydrocoumarin;hydrocoumarin;3,4-dihydro-2h-chromen-2-one;3,4dihydrocoumarin,whenusedasa fragranceingredient;3,4-dihydro-2h-1-benzopyran-2-one;chroman-2-one;119-84-6;3,4-dihydro-2<i>h</i>-1-benzopyran-2-one","c12c(cccc1)CCC(=O)O2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["597-25-1","dimethylmorpholinophosphoramidate;dimethyl morpholinophosphoramidate;dimethyl morpholin-4-ylphosphonate;phosphonic acid, 4-morpholinyl-, dimethyl ester (9ci);597-25-1","C1CN(P(=O)(OC)OC)CCO1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"No alert found",0,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid|H-acceptor-path3-H-acceptor",1,null,0]
["123-91-1","1,4-dioxane;1,4,-dioxane;[1,4]dioxane;1-4 dioxane;p-dioxane;dioxane","C1COCCO1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["115-29-7","endosulfan;endosulfan, technical grade;6,7,8,9,10,10-hexachloro-1,5,5a,6,9,9a-hexahydro-6,9-methano-2,4,3-benzodioxathiepine 3-oxide;6,9-methano-2,4,3-benzodioxathiepin, 6,7,8,9,10,10-hexachloro-1,5,5a,6,9,9a-hexahydro-, 3-oxide;6,7,8,9,10,10-hexachloro-1,5,5a,6,9,9a-hexahydro-6,9-methano-2,4,3-benzodioxathiepin 3-oxide;endosulfan/methyl parathion mixture;115-29-7","C12(Cl)C(Cl)(Cl)C(Cl)(C(Cl)=C1Cl)C1C2COS(=O)OC1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation >> Vicinal Dihaloalkanes|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives",1,"No alert found",0,"(Poly) Halogenated Cycloalkanes (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives",1,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["64-17-5","ethanol;ethyl alcohol;ethyl alcohol [ethanol];alcohol [usan];ethanol/ 4 quat formulation (chlorox p198);64-17-5","C(C)O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["51630-58-1","fenvalerate (pydrin);fenvalerate;cyano(3-phenoxyphenyl)methyl ester, 4-chloro-alpha-(1-methylethyl)benzeneacetic acid;fenvalerate [aka cyano-3-phenoxyphenylmethyl-4-chloro-alpha-1-methylethylbenzene acetate];pydrin;cyano (3-phenoxybenzyl)-2-(4-chlorophenyl)-3-methylbutyrate;fenvalerate\"\"\";fenvalerate [bsi:iso];cyano(3-phenoxyphenyl)methyl 2-(4-chlorophenyl)-3-methylbutanoate;benzeneacetic acid, 4-chloro-.alpha.-(1-methylethyl)-, cyano(3-phenoxyphenyl)methyl ester;4-chloro-alpha-(1-methylethyl)benzeneacetic acid cyano(3-phenoxyphenyl)methyl ester;fenvalerate 1.9 ec formulation;fenvalerate (pydrin formulation);fenvalerate 2.4 ec;fenvalerate (pydrin 2.4 ec formulation);fenvalerate dpx-yb656-59 formulation;fenvalerate (82.8% esfenvalerate ss isomer);cyano[3-(phenyloxy)phenyl]methyl 2-(4-chlorophenyl)-3-methylbutanoate;fenvalerate\";benzeneacetic acid, 4-chloro-alpha-(1-methylethyl)-, cyano(3-phenoxyphenyl)methyl ester;51630-58-1","C(#N)C(c1cc(Oc2ccccc2)ccc1)OC(=O)C(c1ccc(Cl)cc1)C(C)C","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity|Substituted n-alkylcarboxylic acids (Nongenotox)",1,"No alert found",0,"No alert found",0,"1-phenoxy-benzene|H-acceptor-path3-H-acceptor",1,null,0]
["54-31-9","furosemide;4-chloro-2-[(furan-2-ylmethyl)-amino]-5-sulfamoyl-benzoic acid;benzoic acid, 5-(aminosulfonyl)-4-chloro-2-[(2-furanylmethyl)amino]-;4-chloro-2-[(furan-2-ylmethyl)amino]-5-sulfamoylbenzoic acid;5-(aminosulfonyl)-4-chloro-2-[(furan-2-ylmethyl)amino]benzoic acid;benzoic acid, 5-(aminosulfonyl)-4-chloro-2-((2-furanylmethyl)amino)-;54-31-9","C(=O)(O)c1c(NCC2=CC=CO2)cc(Cl)c(S(N)(=O)=O)c1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation of Heterocyclic Ring Systems|Michael addition >> P450 Mediated Activation of Heterocyclic Ring Systems >> Furans",1,"Benzenesulfonic ethers, methylation (Nongenotox)|Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["67-72-1","ethane, 1,1,1,2,2,2-hexachloro-;hexachloroethane;ethane, hexachloro-;67-72-1","C(Cl)(Cl)(Cl)C(Cl)(Cl)Cl","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation >> Vicinal Dihaloalkanes|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes",1,"No alert found",0,"Alkyl halides (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes",1,"No alert found",0,"No alert found",0,null,0]
["101-73-5","p-isopropoxydiphenylamine;4-isopropoxydiphenylamine;4-isopropoxy-n-phenylaniline;benzenamine, 4-(1-methylethoxy)-n-phenyl-;diphenylamine, 4-isopropoxy-;n-phenyl-4-(propan-2-yloxy)aniline;4-[(1-methylethyl)oxy]-n-phenylaniline","c1(OC(C)C)ccc(Nc2ccccc2)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["5989-27-5","d-limonene;limonene;limonene, d-;cyclohexene, 1-methyl-4-(1-methylethenyl)-, (4r)-;(r)-p-mentha-1,8-diene;cyclohexene, 1-methyl-4-(1-methylethenyl)-, (r)-;cyclohexene, 1-methyl-4-(1-methylethenyl)-, (.+-.)-;p-mentha-1,8-diene, (r)-(+)-;(d)-limonene;(4r)-1-methyl-4-(prop-1-en-2-yl)cyclohexene;(4r)-1-methyl-4-(1-methylethenyl)cyclohexene;4-isopropenyl-1-methylcyclohexene;r(+) limonene;cyclohexene, 1-methyl-4-(1-methylethenyl)-, (theta)-;5989-27-5;(<i>r</i>)-form","C(=C)(C)C1CC=C(C)CC1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["758-17-8","n-methyl-n-formylhydrazine;n-formyl-n-methyl hydrazine;n-formyl-n-methyl hydrazine\"\"\";n-methylformic hydrazide;formic acid, 1-methylhydrazide (8ci)","C(=O)N(C)N","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Nucleophilic addition|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization >> Hydrazine Derivatives|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Hydrazine Derivatives",1,"No alert found",0,"Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Hydrazine",1,"H-acceptor-path3-H-acceptor|Hydrazine",1,null,0]
["98-85-1","(sec)phenethyl alcohol;alpha-methylbenzyl alcohol;1-phenylethanol;sec-phenethyl alcohol;benzenemethanol, ?-methyl-;benzenemethanol, .alpha.-methyl-;methylphenyl carbinol;a-methylbenzyl alcohol;(1)-alpha-methylbenzyl alcohol;(?)-form","c1(C(C)O)ccccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes",1,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["86-87-3","1-naphthaleneacetic acid;naphthalen-1-yl-acetic acid;naphthaleneacetic acid;1-naphthalene acetic acid;1-naphthalene acetic acid  (solid);1-naphthylacetic acid;2-(1-naphthyl)-acetic acid;naa (auxin);naphthalen-1-ylacetic acid;1-naphthylacetic","c1(CC(=O)O)c2c(cccc2)ccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["102-77-2","n-oxydiethylene-2-benzothiazylsulfenamide;n-oxydiethylenebenzothiazole-2-sulfenamide;morpholine, 4-(2-benzothiazolylthio)-;2-(morpholinothio)benzothiazole;benzothiazole, 2-(morpholinothio)-;2-(morpholin-4-ylsulfanyl)-1,3-benzothiazole;2-(morpholin-4-ylthio)-1,3-benzothiazole","c12c(cccc1)N=C(SN1CCOCC1)S2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["78-11-5","pentaerythritol tetranitrate;pentaerythritol tetranitrate with 80% d-lactose monohydrate;pentaerithrityl tetranitrate;1,3-propanediol, 2,2-bis[(nitrooxy)methyl]-, dinitrate (ester);1,3-propanediol, 2,2-bis (nitrooxy)methyl -, dinitrate (ester);pentaerythritol, tetranitrate;1,3-propanediol, 2,2-bis((nitrooxy)methyl)-, dinitrate (ester);3-(nitrooxy)-2,2-bis[(nitrooxy)methyl]propyl nitrate (non-preferred name);pentaerithrityltetranitrate(inn);pentaerythritol tetranitrate with 8% d-lactose monohydrate","C(CON(=O)=O)(CON(=O)=O)(CON(=O)=O)CON(=O)=O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical decomposition|Radical >> Radical decomposition >> Alkylnitrites|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Alkylnitrites|SN1|SN1 >> Nitrosation|SN1 >> Nitrosation >> Alkylnitrites",1,"No alert found",0,"No alert found",0,"Radical|Radical >> Radical decomposition|Radical >> Radical decomposition >> Alkylnitrites|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Alkylnitrites|SN1|SN1 >> Nitrosation|SN1 >> Nitrosation >> Alkylnitrites",1,"No alert found",0,"No alert found",0,null,0]
["89-25-8","1-phenyl-3-methyl-5-pyrazolone;norphenazone;phenyl-3-methyl-5-pyrazolone, 1-;3-methyl-1-phenylpyrazolone;3h-pyrazol-3-one, 2,4-dihydro-5-methyl-2-phenyl-;2,4-dihydro-5-methyl-2-phenyl-3h-pyrazo-3-one;2-pyrazolin-5-one, 3-methyl-1-phenyl-;5-methyl-2-phenyl-1,2-dihydro-3h-pyrazol-3-one;5-methyl-2-phenyl-2,4-dihydro-3h-pyrazol-3-one;5-pyrazolone, 3-methyl-1-phenyl-","c1(N2C(=O)CC(C)=N2)ccccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Hydrazine",1,"H-acceptor-path3-H-acceptor|Hydrazine",1,null,0]
["98-96-4","pyrazinamide;2-pyrazinecarboxamide;pyrazinecarboxamide;pyrazine-2-carboxamide","C(N)(=O)c1cnccn1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["50-55-5","reserpine;yohimban-16-carboxylic acid, 11,17-dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]-, methyl ester, (3.beta.,16.beta.,17.alpha.,18.beta.,20.alpha.)-;methyl (3beta,16beta,17alpha,18beta,20alpha)-11,17-dimethoxy-18-{[(3,4,5-trimethoxyphenyl)carbonyl]oxy}yohimban-16-carboxylate;3-beta,20-alpha-yohimban-16-beta-carboxylic acid, 18-beta-hydroxy-11,17-alpha-dimethoxy-, methyl ester, 3,4,5-trimethoxybenzoate (ester);(-)-form","C12c3c(cc(OC)cc3)NC=1C1CC3C(C(=O)OC)C(OC)C(OC(=O)c4cc(OC)c(OC)c(OC)c4)CC3CN1CC2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones|SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"No alert found",0,"No alert found",0,"No alert found",0,"1,3-dialkoxy-benzene|H-acceptor-path3-H-acceptor",1,null,0]
["2438-88-2","2,3,5,6-tetrachloro-4-nitroanisole;2,3,5,6-tetrachloro-4-nitroaniline;4-nitro-2,3,5,6-tetrachloroanisole;1,2,4,5-tetrachloro-3-methoxy-6-nitrobenzene;benzene, 1,2,4,5-tetrachloro-3-methoxy-6-nitro- (9ci);2438-88-2","c1(Cl)c(Cl)c(OC)c(Cl)c(Cl)c1N(=O)=O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["96-69-5","phenol, 4,4'-thiobis[2-(1,1-dimethylethyl)-5-methyl-;4,4'-thiobis(3-methyl-6-tert-butylphenol);4,4'-thiobis(6-t-butyl-m-cresol);4,4'-thiobis(6-tert-butyl-m-cresol);4,4'-thiobis(6-tert-butyl-3-cresol);6,6'-di-tert-butyl-4,4'-thiodi-m-cresol;phenol, 4,4’-thiobis[2-(1,1-dimethylethyl)-5-methyl-;phenol, 4,4'-thiobis 2-(1,1-dimethylethyl)-5-methyl-;m-cresol, 4,4'-thiobisХ6-tert-butyl-;phenol, 4,4'-thiobisХ2-(1,1-dimethylethyl)-5-methyl-;4,4'-sulfanediylbis(2-tert-butyl-5-methylphenol);4,4''-thiobis (6-t-butyl-m-cresol);4,4'-thiobis[2-(1,1-dimethylethyl)-5-methylphenol];4,4'-thiobis (6-t-butyl-m-cresol);phenol, 4,4'-thiobis(2-(1,1-dimethylethyl)-5-methyl-;96-69-5","C(C)(C)(C)c1c(O)cc(C)c(Sc2c(C)cc(O)c(C(C)(C)C)c2)c1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["76-03-9","acetic acid, 2,2,2-trichloro-;trichloroacetic acid (tca);trichloroacetic acid;trichloro-acetic acid;acetic acid, trichloro-;tca-sodium;trichloro acetic acid;tca;trichloroaceticacid","C(Cl)(Cl)(Cl)C(=O)O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups",1,"No alert found",0,"Alkyl halides (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups",1,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["81-15-2","benzene, 1-(1,1-dimethylethyl)-3,5-dimethyl-2,4,6-trinitro-;2,4,6-trinitro-5-tert-butyl-1,3-xylene;musk xylene;2,4,6-trinitro-1,3-dimethyl-5-tert-butylbenzene;benzene, 1-(1,1-dimethylethyl)-3,5-dimethyl-2,4,;trinitro-t-butyl xylene;m-xylene, 5-tert-butyl-2,4,6-trinitro-\"\"\";5-tert-butyl-2,4,6-trinitro-m-xylene;m-xylene, 5-tert-butyl-2,4,6-trinitro-;1-tert-butyl-3,5-dimethyl-2,4,6-trinitrobenzene;1-(1,1-dimethylethyl)-3,5-dimethyl-2,4,6-trinitrobenzene","C(C)(C)(C)c1c(N(=O)=O)c(C)c(N(=O)=O)c(C)c1N(=O)=O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["73-22-3","l-tryptophan;(s)-2-amino-3-(1h-indol-3-yl)-propionic acid;l-(-)-tryptophane;tryptophan;tryptophane;tryptophan [usan:inn];tryptophan (van);(<i>s</i>)-form","C1(CC(N)C(=O)O)c2c(cccc2)NC=1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["50-76-0","actinomycin d;dactinomycin;2-amino-4,6-dimethyl-3-oxo-n,n'-bis[(6s,9r,10s,13r,18as)-2,5,9-trimethyl-1,4,7,11,14-pentaoxo-6,13-di(propan-2-yl)hexadecahydro-1h-pyrrolo[2,1-i][1,4,7,10,13]oxatetraazacyclohexadecin-10-yl]-3h-phenox|azine-1,9-dicarboxamide;2-amino-4,6-dimethyl-3-oxo-n,n'-bis[(6s,9r,10s,13r,18as)-2,5,9-trimethyl-6,13-bis(1-methylethyl)-1,4,7,11,14-pentaoxohexadecahydro-1h-pyrrolo[2,1-i][1,4,7,10,13]oxatetraazacyclohexadecin-10-yl]-3h-phenoxazine-1,9-dicarboxamide;50-76-0","C(=O)(C1C2C(=C(C)C(=O)C=1N)Oc1c(c(C(=O)NC3C(=O)NC(C(C)C)C(=O)N4C(C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC3C)CCC4)ccc1C)N=2)NC1C(=O)NC(C(C)C)C(=O)N2C(C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC1C)CCC2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","Without S9","Inconclusive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinoneimine Derivatives|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|Radical >> ROS formation after GSH depletion >> Quinoneimine Derivatives|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"No alert found",0,"Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinoneimine Derivatives|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Quinoneimine Derivatives",1,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["110-97-4","diisopropanolamine;1-(2-hydroxy-propylamino)-propan-2-ol;2-propanol, 1,1'-iminobis-;bis(2-hydroxypropyl)amine;1,1'-iminodipropan-2-ol;2-propanol, 1,1’-iminobis-;1,1'-iminobis-2-propanol;2-propanol, 1,1'-iminodi-;110-97-4","C(C)(O)CNCC(C)O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["67-48-1","choline chloride;chloride;ethanaminium, 2-hydroxy-n,n,n-trimethyl-, chloride (1:1);choline;ethanaminium, 2-hydroxy-n,n,n-trimethyl-, chloride;choline, chloride;2-hydroxy-n,n,n-trimethylethanaminium chloride;cholinesaltsandtheiresters,e.g.choline chloride(inn);2-hydroxy-n,n,n-trimethylethanaminium, chloride","C(O)CN{+}(C)(C)(C).Cl{-}","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["57-63-6","ethinylestradiol;(8r,9s,13s,14s,17r)-17-ethynyl-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6h-cyclopenta[a]phenanthrene-3,17-diol;ethinyl estradiol;ethynylestradiol;17-a-ethynylestradiol;17-alpha-ethynyl estradiol;19-norpregna-1,3,5(10)-trien-20-yne-3,17-diol, (17.alpha.)-;(17beta)-17-ethynylestra-1(10),2,4-triene-3,17-diol;(17alpha)-19-norpregna-1,3,5(10)-trien-20-yne-3,17-diol;ethynlestradiol;19-norpregna-1,3,5(10)-trien-20-yne-3,17-diol, (17alpha)-","C(#C)C1(O)C2(C)C(C3C(c4c(cc(O)cc4)CC3)CC2)CC1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Steroidal estrogens (nongenotoxic & genotoxic)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["100-41-4","ethylbenzene;ethyl benzene;benzene, ethyl-;100-41-4","c1(CC)ccccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes",1,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["144-48-9","iodoacetamide;acetamide, 2-iodo-;2-iodoacetamide;acetamide, iodo-","C(N)(=O)CI","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Inconclusive","CCRIS database,Toxnet databases","TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aliphatic halogens",1,"Aliphatic halogen|H-acceptor-path3-H-acceptor",1,null,0]
["50-07-7","mitomycin-c;mitomycin c;mitomycin;azirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione, 6-amino-8-[[(aminocarbonyl)oxy]methyl]-1,1a,2,8,8a,8b-hexahydro-8a-methoxy-5-methyl-, (1as,8s,8ar,8bs)-;[(1as,8s,8ar,8bs)-6-amino-8a-methoxy-5-methyl-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-8-yl]methyl carbamate;azirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione, 6-amino-8-[[(aminocarbonyl)oxy]methyl]-1,1a,2,8,8a,8b-hexahydro-8a-methoxy-5-methyl-, [1as-(1a.alpha.,8.beta.,8a.alpha.,8b.alpha.)]-;[1ar-(1a alpha, 8 beta, 8a alpha, 8b alpha])-6-amino-8-[[(aminocarbonyl)oxy]methyl]-1,1a, 2,8,8a,8b-hexahydro-8a-methoxy-5-methylazirinol[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione;azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, 6-amino-8-(((aminocarbonyl)oxy)methyl)-1,1a,2,8,8a,8b-hexahydro-8a-methoxy-5-methyl-, (1as,8s,8ar,8bs)-;50-07-7","C12C(=O)C(C)=C(N)C(=O)C=1C(COC(N)=O)C1(OC)C3C(CN21)N3","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines|SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Aziridines",1,"Alkyl carbamate and thiocarbamate (Genotox)|Epoxides and aziridines (Genotox)|Quinones (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones|SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Alkyl carbamate and thiocarbamate|Epoxides and aziridines|Quinones",1,"Alkyl carbamate and thiocarbamate|Epoxides and aziridines|H-acceptor-path3-H-acceptor|Quinones",1,null,0]
["64224-21-1","oltipraz;4-methyl-5-(pyrazin-2-yl)-3h-1,2-dithiole-3-thione;4-methyl-5-pyrazin-2-yl-3h-1,2-dithiole-3-thione;3h-1,2-dithiole-3-thione, 4-methyl-5-pyrazinyl-","C1(=S)C(C)=C(c2cnccn2)SS1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Specific Imine and Thione Derivatives|SN2|SN2 >> Diazonium ion formation|SN2 >> Diazonium ion formation >> Specific Imine and Thione Derivatives",1,"No alert found",0,"No alert found",0,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Specific Imine and Thione Derivatives|SN2|SN2 >> Diazonium ion formation|SN2 >> Diazonium ion formation >> Specific Imine and Thione Derivatives",1,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["55268-74-1","praziquantel;2-(cyclohexylcarbonyl)-1,2,3,6,7,11b-hexahydro-4h-pyrazino[2,1-a]isoquinolin-4-one;4h-pyrazino[2,1-a]isoquinolin-4-one, 2-(cyclohexylcarbonyl)-1,2,3,6,7,11b-hexahydro-;4h-pyrazino(2,1-a)isoquinolin-4-one, 2-(cyclohexylcarbonyl)-1,2,3,6,7,11b-hexahydro-","c12c(C3CN(C(=O)C4CCCCC4)CC(=O)N3CC1)cccc2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes|SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["569-57-3","chlorotrianisene;tace;1,1',1''-(2-chloroethene-1,1,2-triyl)tris(4-methoxybenzene);benzene, 1,1',1''-(1-chloro-1-ethenyl-2-ylidene)tris[4-methoxy-;1,1',1''-(2-chloroethene-1,1,2-triyl)tris[4-(methyloxy)benzene];merbentul;benzene, 1,1',1''-(1-chloro-1-ethenyl-2-ylidene)tris(4-methoxy)-","c1(C(c2ccc(OC)cc2)=C(Cl)c2ccc(OC)cc2)ccc(OC)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["1746-01-6","tetrachlorodibenzo-p-dioxin, 2,3,7,8-;2,3,7,8-tetrachlorodibenzo-p-dioxin;2,3,7,8-tcdd;2,3,7,8-tetrachlorodibenzo[b,e][1,4]dioxin;2,3,7,8-tecdd;2,3,7,8-tetrachloro-dibenzodioxin;tetrachlorodibenzodioxin;2,3,7,8-tetrachlorodibenzo-p-dioxin (tcdd);2,3,7,8-tetrachlorooxanthrene;2,3,7,8tetrachlorodibenzopdioxin(tcdd);tcdd;dibenzo(b,e)(1,4)dioxin, 2,3,7,8-tetrachloro-;1746-01-6","c1(Cl)c(Cl)cc2c(c1)Oc1c(cc(Cl)c(Cl)c1)O2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Halogenated dibenzodioxins (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"1-phenoxy-benzene|H-acceptor-path3-H-acceptor",1,null,0]
["58-89-9","g-hexachlorocyclohexane (lindane);lindane;gamma-hexachlorocyclohexane;bhc;gamma-1,2,3,4,5,6-hexachlorocyclohexane;lindane (gama-hch);cyclohexane, 1,2,3,4,5,6-hexachloro-, (1a,2a,3b,4a,5a,6b)-;g-hch;gamma-hexachlorocycohexane;hexachlorocyclohexane, gamma-;?-hch or ?-bhc;cyclohexane, 1,2,3,4,5,6-hexachloro-, (1?,2?,3?,4?,5?,6?)-;cyclohexane, 1,2,3,4,5,6-hexachloro-, (1.alpha.,2.alpha.,3.beta.,4.alpha.,5.alpha.,6.beta.)-;gamma-hch or gamma-bhc;cyclohexane, 1,2,3,4,5,6-hexachloro-, .gamma.-;lindane [usan:ban:inn];(1r,2s,3r,4r,5s,6r)-1,2,3,4,5,6-hexachlorocyclohexane;1,2,3,4,5,6hexachlorocyclohexane(bhciso);(1alpha,2alpha,3beta,4alpha,5alpha,6beta)-1,2,3,4,5,6-hexachlorocyclohexane;(1r,2r,3s,4r,5r,6s)-1,2,3,4,5,6-hexachlorocyclohexane;gamma-hch;cyclohexane, 1,2,3,4,5,6-hexachloro-, (1alpha,2alpha,3beta,4alpha,5alpha,6beta)-;58-89-9","C1(Cl)C(Cl)C(Cl)C(Cl)C(Cl)C1Cl","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Equivocal","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation >> Vicinal Dihaloalkanes",1,"SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> 1,2-Dihaloalkanes",1,"(Poly) Halogenated Cycloalkanes (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["60-00-4","glycine, n,n'-1,2-ethanediylbis[n-(carboxymethyl)-;edta;ethylene diamine tetra acetic acid;ethylene diamine tetraacetic acid;ethylenediamine tetraacetic acid (edta);ethylenediaminetetraacetic acid;{[2-(bis-carboxymethyl-amino)-ethyl]-carboxymethyl-amino}-acetic acid;ethylenediamine tetraacetic acid;ethylenediaminetetracetic acid;glycine, n,n’-1,2-ethanediylbis[n-(carboxymethyl)-;edetic acid;glycine, n,n'-1,2-ethanediylbis n-(carboxymethyl)-;acetic acid, (ethylenedinitrilo)tetra-;glycine, n,n'-1,2-ethanediylbis(n-(carboxymethyl)-;2,2',2'',2'''-(ethane-1,2-diyldinitrilo)tetraacetic acid;n,n'-1,2-ethanediylbis[n-(carboxymethyl)glycine","C(=O)(O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["78-93-3","2-butanone;butanone, 2-;methyl ethyl ketone;ethyl methyl ketone;butanone;butan-2-one;78-93-3","C(C)(=O)CC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["88-72-2","benzene, 1-methyl-2-nitro-;2-nitrotoluene;nitrotoluene, 2-;o-nitrotoluene;1-methyl-2-nitrobenzene;toluene, o-nitro-;2nitrotoluene;88-72-2","c1(N(=O)=O)c(C)cccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Nitro-aromatic",1,"Nitro-aromatic",1,null,0]
["94-74-6","acetic acid, 2-(4-chloro-2-methylphenoxy)-;phenoxyacetic acid, 4-chloro-2-methyl- (mcpa);4-chloro-2-methylphenoxyacetic acid;(4-chloro-2-methyl-phenoxy)-acetic acid;mcpa;2-methyl-4-chlorophenoxyacetic acid;methyl-4-chlorophenoxyacetic acid, 2-;(4-chloro-2-methylphenoxy)acetic acid;acetic acid, (4-chloro-2-methylphenoxy)-;acetic acid, Х(4-chloro-o-tolyl)oxyе-;mcpa acid;mcpa isooctyl ester (rhonox formula);94-74-6","c1(OCC(=O)O)c(C)cc(Cl)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["98-00-0","furfurylalcohol;furfuryl alcohol;2-furanmethanol;2-hydroxymethylfuran;furfural alcohol;2-furylmethanol;98-00-0","C1(CO)=CC=CO1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation of Heterocyclic Ring Systems|Michael addition >> P450 Mediated Activation of Heterocyclic Ring Systems >> Furans",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["105-39-5","ethyl chloroacetate;chloroacetic acid ethyl ester;chloroacetic acid, ethyl ester;acetic acid, chloro-, ethyl ester;105-39-5","C(=O)(CCl)OCC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","Without S9","Inconclusive","CCRIS database,Toxnet databases","TA 102","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups",1,"No alert found",0,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups",1,"Aliphatic halogens",1,"Aliphatic halogen|H-acceptor-path3-H-acceptor",1,null,0]
["106-42-3","p-xylene;xylene, 4-;benzene, 1,4-dimethyl-;benzene, 1,4-dimethyl;1,4-dimethylbenzene;4-xylene;106-42-3","c1(C)ccc(C)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes",1,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["108-38-3","xylene, 3-;m-xylene;benzene, 1,3-dimethyl-;benzene, 1,3-dimethyl;1,3-dimethylbenzene;108-38-3","c1(C)cc(C)ccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes",1,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["110-54-3","hexane;n-hexane;hexane, commercial grade (52% n-hexane, 16% 3-methylpentane, 16% methylcyclopentane);110-54-3","C(C)CCCC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["110-86-1","pyridine;110-86-1","c1ccccn1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["122-14-5","fenitrothion;fenitrothione;o,o-dimethyl o-(3-methyl-4-nitrophenyl)ester phosphorothioic acid (fenitrothion);o,o-dimethyl o-(3-methyl-4-nitrophenyl) phosphorothioate;phosphorothioic acid, o,o-dimethyl o-(3-methyl-4-nitrophenyl) ester;phosphorothioic acid o,o-dimethyl o-(3-methyl-4-nitrophenyl)ester;fenitrothion (degradate);o,o-dimethyl-o-(3-methyl-4-nitrophenyl) phosphorothionate;fenitrothion (mep);phosphorothioic acid o,o-dimethyl o-(3-methyl-4-nitrophenyl) ester;122-14-5","c1(N(=O)=O)c(C)cc(OP(=S)(OC)OC)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"Nitro-aromatic",1,"Nitro-aromatic",1,null,0]
["123-86-4","butyl acetate;butyl-n acetate;n-butyl acetate;n-butylacetate;acetic acid, butyl ester;butyl ester, acetic acid;butylacetate;123-86-4;butyl  acetate","C(C)(=O)OCCCC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Specific Acetate Esters|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Specific Acetate Esters|SN2|SN2 >> Acylating agents|SN2 >> Acylating agents >> Specific Acetate Esters|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Specific Acetate Esters",1,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["141-97-9","ethyl acetoacetate;acetoacetic ester;butanoic acid, 3-oxo-, ethyl ester;acetoacetic acid ethyl ester;acetoacetic acid, ethyl ester;ethyl 3-oxobutanoate;3-oxobutanoic acid, ethyl ester;141-97-9;oxo-form","C(=O)(CC(C)=O)OCC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["554-00-7","benzenamine, 2,4-dichloro-;3,4-dichloroaniline;2,4-dichloroaniline;2,4-dichloro-phenylamine;2,4-dichloro-aniline;aniline, 2,4-dichloro-;2,4-dichlorobenzenamine;554-00-7","c1(N)c(Cl)cc(Cl)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"Primary aromatic amine, hydroxyl amine and its derived esters",1,null,0]
["554-84-7","3-nitrophenol;m-nitrophenol;3-nitro-phenol;phenol, 3-nitro-;m-nitro-phenol;554-84-7","c1(O)cc(N(=O)=O)ccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"Nitro-aromatic",1,null,0]
["935-95-5","2,3,5,6-tetrachlorophenol;tetrachlorophenol, 2,3,5,6-;2,3,5,6-tetrachloro-phenol;phenol, 2,3,5,6-tetrachloro-","c1(Cl)c(Cl)c(O)c(Cl)c(Cl)c1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["1918-00-9","dicamba;5-methoxy benzoic acid (dicamba);3,6-dichloro-2-methoxybenzoic acid;benzoic acid, 3,6-dichloro-2-methoxy-;3,6-dichloro-2-methyoxybenzoic acid;dicamba/diflufenzopyr mixture;dicamba/diflufenzopyr mix (distinct);dicamba (acid);1918-00-9","C(=O)(O)c1c(OC)c(Cl)ccc1Cl","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["2540-82-1","anthio;formothion;s-{2-[formyl(methyl)amino]-2-oxoethyl} o,o-dimethyl phosphorodithioate;phosphorodithioic acid, s-[2-(formylmethylamino)-2-oxoethyl] o,o-dimethyl ester;s-[2-(formylmethylamino)-2-oxoethyl]phosphorodithioic acid, o,o-dimethyl ester;phosphorodithioic acid, o,o-dimethyl ester, s-ester with n-formyl-2-mercapto-n-methyl-acetamide;2540-82-1","C(=O)(CSP(=S)(OC)OC)N(C)C=O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"No alert found",0,"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["10265-92-6","methamidophos;o,s-dimethyl phosphoramidothioate;methamidphos;phosphoramidothioic acid, o,s-dimethyl ester;10265-92-6","COP(N)(=O)SC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"No alert found",0,"No alert found",0,"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["13171-21-6","phosphamidon;(2z)-3-chloro-4-(diethylamino)-4-oxobut-2-en-2-yl dimethyl phosphate;phosphoric acid, 2-chloro-3-(diethylamino)-1-methyl-3-oxo-1-propenyl dimethyl ester;phosphoric acid, dimethyl ester, ester with 2-chloro-n,n-diethyl-3-hydroxycrotonamide;13171-21-6","C(=O)(C(Cl)=C(C)OP(=O)(OC)OC)N(CC)CC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid (Genotox)|alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid|alpha,beta-unsaturated carbonyls",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid|alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor",1,null,0]
["30560-19-1","acephate;o,s-dimethyl acetylphosphoramidothioate;phosphoramidothioic acid, acetyl-, o,s-dimethyl ester;acetylphosphoramidothioic acid o,s-dimethyl ester;phosphoramidothioic acid, n-acetyl-, o,s-dimethyl ester;30560-19-1","C(C)(=O)NP(=O)(OC)SC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","Without S9","Inconclusive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"No alert found",0,"No alert found",0,"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["78-90-0","1,2-diaminopropane;propylenediamine;(s)-propane-1,2-diamine;propane-1,2-diamine;1,2-diamino-propane;1,2-propanediamine","C(C)(N)CN","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["78-96-6","1-amino-2-propanol;1-aminopropan-2-ol;2-propanol, 1-amino-;monoisopropanolamine","C(C)(O)CN","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["96-17-3","2-methylbuteraldehyde;2-methylbutanal;2-methylbutyraldehyde;butanal, 2-methyl-;butyraldehyde, 2-methyl-;96-17-3","C(=O)C(C)CC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Schiff base formers|Schiff base formers >> Direct Acting Schiff Base Formers|Schiff base formers >> Direct Acting Schiff Base Formers >> Mono aldehydes",1,"Simple aldehyde (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Simple aldehyde",1,"Simple aldehyde",1,null,0]
["103-83-3","benzenemethanamine, n,n-dimethyl-;n-benzyl-n,n-dimethylamine;benzylamine;n,n'-dimethylbenzylamine;benzyl-dimethyl-amine;n,n-dimethylbenzylamine;benzyldimethylamine;n,n-dimethyl-1-phenylmethanamine;dimethylbenzylamine;103-83-3;<i>n</i>,<i>n</i>-di-me","c1(CN(C)C)ccccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes|SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["104-88-1","4-chlorobenzaldehyde;p-chlorobenzaldehyde;benzaldehyde, 4-chloro-;benzaldehyde, p-chloro-;104-88-1","c1(C=O)ccc(Cl)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Halogenated benzene (Nongenotox)|Simple aldehyde (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"No alert found",0,"Simple aldehyde",1,"Simple aldehyde",1,null,0]
["108-99-6","pyridine, 3-methyl-;3-methylpyridine (3-picloine);3-picoline;3-methyl-pyridine;3-methylpyridine;beta-picoline;108-99-6","c1(C)cccnc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["109-06-8","pyridine, 2-methyl-;2-methylpyridine (2-picoline);2-picoline;2-methyl-pyridine;2-methylpyridine;109-06-8","c1(C)ccccn1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["111-69-3","1,4-dicyanobutane;adiponitrile;hexanedioic acid;hexanedinitrile;111-69-3;dinitrile","C(#N)CCCCC#N","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["121-32-4","3-ethoxy-4-hydroxybenzaldehyde;3,4-dihydroxybenzaldehyde;ethyl vanillin;benzaldehyde, 3-ethoxy-4-hydroxy-;ethylvanillin;121-32-4;3-et ether","c1(O)c(OCC)cc(C=O)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Simple aldehyde (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Simple aldehyde",1,"H-acceptor-path3-H-acceptor|Simple aldehyde",1,null,0]
["122-99-6","2-phenoxyethanol;phenoxyethanol, 2-;phenoxyethanol;ethylene glycol phenyl ether;2-phenoxy-ethanol;ethanol, 2-phenoxy-;ethylene glycol (mono) phenyl ether;122-99-6","c1(OCCO)ccccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["280-57-9","1,4-diazabicyclo[2.2.2]octane;triethylenediamine;1,4-diaza-bicyclo[2.2.2]octane;1,4-diazabicyclo(2,2,2)octane  (dabco);1,4-diaza[2,2,2]bicyclooctane;1,4-diazabicyclooctane;1,4-diazabicyclo[2,2,2]octane;1,4-diazabicyclo 2.2.2 octane;1,4-diazabicycloХ2.2.2еoctane;triethylene diamine;1,4-diazabicyclo(2.2.2)octane","C1CN2CCN1CC2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality, Conflict","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["608-71-9","phenol, 2,3,4,5,6-pentabromo-;pentabromophenol;phenol, pentabromo-;608-71-9","c1(Br)c(Br)c(Br)c(Br)c(Br)c1O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["625-86-5","2,5-dimethylfuran;furan, 2,5-dimethyl-","C1(C)=CC=C(C)O1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation of Heterocyclic Ring Systems|Michael addition >> P450 Mediated Activation of Heterocyclic Ring Systems >> Furans",1,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["2216-51-5","(1r,2s,5r)-(-)-menthol;menthol;(-)-menthol;l-menthol;cyclohexanol, 5-methyl-2-(1-methylethyl)-, [1r-(1à,2 ,5à)]-;menthol (l);levomenthol [ban:inn];levomenthol;cyclohexanol, 5-methyl-2-(1-methylethyl)-, [1r-(1?,2?,5?)]-;cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1r,2s,5r)-;(1r,2s,5r)-5-methyl-2-(propan-2-yl)cyclohexanol;cyclohexanol, 5-methyl-2-(1-methylethyl)-, [1r-(1.alpha.,2.beta.,5.alpha.)]-;(1r,2s,5r)-5-methyl-2-(1-methylethyl)cyclohexanol;menthol (l-menthol);2-isopropyl-5-methylcyclohexanol;cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1r-(1alpha,2beta,5alpha))- (9ci);2216-51-5;<i>p</i>-menthan-3-ol;(1<i>r</i>,3<i>r</i>,4<i>s</i>)-form","C(C)(C)C1C(O)CC(C)CC1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["57-10-3","palmitic acid;hexadecanoic acid;palmitate;palmitic acid, pure","C(=O)(O)CCCCCCCCCCCCCCC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["90-04-0","o-anisidine (2-methoxyaniline);o-anisidine;2-methoxy-phenylamine;benzenamine, 2-methoxy-;2-anisidine hydrochloride;2-methoxyaniline;2-methoxy-aniline;2-anisidine;oanisidine;2-methoxybenzeneamine;90-04-0","c1(OC)c(N)cccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters",1,null,0]
["613-35-4","n,n-diacetylbenzidine;n,n'-diacetylbenzidine;n,n'-[1,1'-biphenyl]-4,4'-diylbisacetamide;acetamide, n,n'-[1,1'-biphenyl]-4,4'-diylbis-;n,n'-biphenyl-4,4'-diyldiacetamide;acetamide, n,n'-(1,1'-biphenyl)-4,4'-diylbis-","c1(-c2ccc(NC(C)=O)cc2)ccc(NC(C)=O)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 102","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Aromatic N-acyl amine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aromatic N-acyl amine",1,"Aromatic N-acyl amine|H-acceptor-path3-H-acceptor",1,null,0]
["77439-76-0","3-chloro-4-(dichloromethyl)-5-hydroxy-2(5h)-furanone;mx;3-chloro-4-dichloromethyl-5-hydroxy-2-furanone;3-chloro-4-(dichloromethyl)-5-hydroxyfuran-2(5h)-one","C1(=O)C(Cl)=C(C(Cl)Cl)C(O)O1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives",1,"No alert found",0,"Aliphatic halogens (Genotox)|alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives",1,"Aliphatic halogens|alpha,beta-unsaturated carbonyls",1,"Aliphatic halogen|alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor",1,null,0]
["85-84-7","c.i. solvent yellow 5;2-naphthalenamine, 1-(phenylazo)-;1-phenylazo-naphthalen-2-ylamine;1-(phenylazo)naphthalen-2-amine;1-(phenyldiazenyl)naphthalen-2-amine;1-(phenylazo)-2-naphthylamine;c.i. solvent yellow 5 (8ci)","c1(N)c(N=Nc2ccccc2)c2c(cccc2)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic azo|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Aromatic diazo (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Aromatic diazo|Primary aromatic amine,hydroxyl amine and its derived esters",1,"Aromatic diazo|H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters",1,null,0]
["97-63-2","ethyl methacrylate monomer;ethyl methacrylate;methacrylic acid, ethyl ester;2-propenoic acid, 2-methyl-, ethyl ester;2-methyl-2-propenoic acid;et ester","C(=O)(C(=C)C)OCC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated esters",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["103-11-7","acrylic acid, 2-ethylhexylester;mono(2-ethylhexyl) acrylate;2-propenoic acid, 2-ethylhexyl ester;2-ethylhexyl acrylate;octyl acrylate;ethylhexyl acrylate;2-\"\"\";acrylic acid, 2-ethylhexyl ester;2-\";103-11-7","C(=O)(C=C)OCC(CCCC)CC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated esters",1,"Structural alert for nongenotoxic carcinogenicity|Substituted n-alkylcarboxylic acids (Nongenotox)",1,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["143-07-7","lauric acid;dodecanoic acid;lauric acid  (solid);capric /caprylic/pelargonic/lauric acid mix;lauric acid, pure;143-07-7","C(=O)(O)CCCCCCCCCCC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["631-28-7","1,2,3-tribromo-2-methylpropane","C(C)(Br)(CBr)CBr","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation >> Vicinal Dihaloalkanes",1,"No alert found",0,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aliphatic halogens",1,"Aliphatic halogen",1,null,0]
["951-78-0","2'-deoxyuridine;1-((2r,4s,5r)-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-1h-pyrimidine-2,4-dione;uridine, 2'-deoxy-;uridine, 2’-deoxy-","C1(=O)C=CN(C2CC(O)C(CO)O2)C(=O)N1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Inconclusive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"alpha,beta-unsaturated carbonyls",1,"alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor|Oxolane",1,null,0]
["2872-48-2","c.i. disperse red 11;disperse red 11;1,4-diamino-2-methoxyanthraquinone;9,10-anthracenedione, 1,4-diamino-2-methoxy-;1,4-diamino-2-methoxyanthracene-9,10-dione;1,4diamino2methoxy9,10anthracenedione (dispersered11) andits salts,whenusedasasubstanceinhairdye products;9,1-anthracenedione, 1,4-diamino-2-methoxy-;2872-48-2","c12C(=O)c3c(C(=O)c1c(N)c(OC)cc2N)cccc3","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Equivocal","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"No alert found",0,"Quinones (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Quinones",1,"H-acceptor-path3-H-acceptor|Quinones",1,null,0]
["3694-52-8","3-nitro-o-phenylenediamine;3-nitro-benzene-1,2-diamine;3-nitrobenzene-1,2-diamine;1,2-benzenediamine, 3-nitro- (9ci)","c1(N)c(N)c(N(=O)=O)ccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 7001","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic|Primary aromatic amine,hydroxyl amine and its derived esters",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic|Primary aromatic amine, hydroxyl amine and its derived esters",1,null,0]
["38966-21-1","aphidicolin;8,11a-methano-11ah-cyclohepta[a]naphthalene-4,9-dimethanol, tetradecahydro-3,9-dihydroxy-4,11b-dimethyl-, (3r,4r,4ar,6as,8r,9r,11as,11bs)-;aphidicolin (ac);8,11a-methano-11ah-cyclohepta(a)naphthalene-4,9-dimethanol, tetradecahydro-3,9-dihydroxy-4,11b-dimethyl-, (3r-(3-alpha,4-alpha,4a-alpha,6a-beta,8-beta,9-beta,11a-beta,11b-beta))-","C123C4(C)C(C(C)(CO)C(O)CC4)CCC1CC(C(O)(CO)CC2)C3","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Inconclusive","CCRIS database,Toxnet databases","TA 102","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["79-94-7","phenol, 4,4'-(1-methylethylidene)bis[2,6-dibromo-;tetrabromobisphenol-a;3,3',5,5'-tetrabromobisphenol a;2,2-bis(4-hydroxy-3,5-dibromophenyl)propane;4,4'-isopropylidenebis (2,6-dibromophenol);4,4'-isopropylidenebis(2,6-dibromophenol);phenol, 4,4 -(1-methylethylidene)bis[2,6-dibromo-;tetrabromobisphenol a;3,3',5,5'-tetrabromo bisphenol a;2,2',6,6'-tetrabromo-4,4'-isopropylidenediphenol;phenol, 4,4’-(1-methylethylidene)bis[2,6-dibromo-;4,4'-(1-methylethylidene)bis[2,6-dibromophenol];phenol, 4,4'-(1-methylethylidene)bis 2,6-dibromo-;phenol, 4,4'-isopropylidenebisХ2,6-dibromo-;phenol, 4,4'-(1-methylethylidene)bisХ2,6-dibromo-;4,4'-propane-2,2-diylbis(2,6-dibromophenol);4,4'-(methylethylidene)bis[2,6-dibromophenol];4,4’-isopropylidenebis(2,6-dibromophenol);2,2-bis(4''-hydroxy-3'',5''-dibromophenyl) propane;phenol, 4,4'-isopropylidenebis(2,6-dibromo- (8ci);2,2-bis (4'-hydroxy-3',5'-dibromophenyl)propane","c1(C(C)(C)c2cc(Br)c(O)c(Br)c2)cc(Br)c(O)c(Br)c1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["84-61-7","dicyclohexyl phthalate;1,2-benzenedicarboxylic acid, 1,2-dicyclohexyl ester;phthalic acid, dicyclohexyl ester;1,2-benzenedicarboxylic acid, dicyclohexyl ester;dicyclohexyl benzene-1,2-dicarboxylate;benzene-1,2-dicarboxylic acid dicyclohexyl","C(=O)(c1c(C(=O)OC2CCCCC2)cccc1)OC1CCCCC1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Phtalate (or buthyl) diesters and monoesters (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["95-94-3","benzene, 1,2,4,5-tetrachloro-;1,2,4,5-tetrachlorobenzene;tetrachlorobenzene, 1,2,4,5-;tetrachlorobenzene, 1,2,3,5-;95-94-3","c1(Cl)c(Cl)cc(Cl)c(Cl)c1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["328-84-7","1,2-dichloro-4-(trifluoromethyl)benzene;3,4-dichlorobenzotrifluoride;3,4-dichloro-±,±,±-trifluorotoluene;3,4-dichloro-?,?,?-trifluorotoluene;benzene, 1,2-dichloro-4-(trifluoromethyl)-;toluene, 3,4-dichloro-.alpha.,.alpha.,.alpha.-trifluoro-;toluene, 3,4-dichloro-alpha,alpha,alpha-trifluoro- (6ci,8ci);328-84-7","C(F)(F)(F)c1cc(Cl)c(Cl)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["491-70-3","luteolin;2-(3,4-dihydroxy-phenyl)-5,7-dihydroxy-chromen-4-one;flavone, 3',4',5,7-tetrahydroxy-;2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-benzopyrone;2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4h-chromen-4-one","C1(=O)c2c(O)cc(O)cc2OC(c2cc(O)c(O)cc2)=C1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["566-76-7","16alpha-hydroxyestrone","C1(=O)C2(C)C(C3C(c4c(cc(O)cc4)CC3)CC2)CC1O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Steroidal estrogens (nongenotoxic & genotoxic)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["599-64-4","phenol, 4-(1-methyl-1-phenylethyl)-;4-(1-methyl-1-phenylethyl)phenol;4-(±,±-dimethylbenzyl)phenol;4-(?,?-dimethylbenzyl)phenol;phenol, p-(.alpha.,.alpha.-dimethylbenzyl)-;4-(2-phenylpropan-2-yl)phenol;p-(α,α-dimethylbenzyl)phenol;4-(α,α-dimethylbenzyl)phenol;p-cumyl phenol;phenol, 4-(1-methyl-1-phenethyl)- (9ci)","c1(C(C)(C)c2ccc(O)cc2)ccccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes",1,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["5976-61-4","4-hydroxyestradiol;4-hydroxy-estradiol;4-hydroxyestradiol (4ohe2)","c1(O)c(O)c2c(C3C(C4C(C)(C(O)CC4)CC3)CC2)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Alkyl phenols|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones",1,"Steroidal estrogens (nongenotoxic & genotoxic)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["64-19-7","acetic acid;acetic acid, of a concentration of more than 10 per cent, by weight, of acetic acid;64-19-7","C(C)(=O)O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["75-31-0","isopropylamine;2-aminopropane;mono-isopropylamine;2-amino-propane;2-propanamine;2-propylamine;propan-2-amine;isopropyl amine","C(C)(C)N","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["80-47-7","p-menthane hydroperoxide;1-methyl-1-(4-methylcyclohexyl)ethyl hydroperoxide;hydroperoxide, 1-methyl-1-(4-methylcyclohexyl)ethyl;2-(4-methylcyclohexyl)propan-2-yl hydroperoxide;p-menth-8-yl hydroperoxide (7ci,8ci)","C(C)(C)(C1CCC(C)CC1)OO","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Organic Peroxy Compounds",1,"No alert found",0,"No alert found",0,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Organic Peroxy Compounds",1,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["98-57-7","p-chlorophenyl methyl sulfone;4-methylsulfonylchlorobenzene;1-chloro-4-(methylsulphonyl)benzene;benzene, 1-chloro-4-(methylsulfonyl)-;1-chloro-4-(methylsulfonyl)benzene;98-57-7","c1(Cl)ccc(S(C)(=O)=O)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["104-85-8","4-tolunitrile;p-tolunitrile;4-methylbenzonitrile;p-toluonitrile;benzonitrile, 4-methyl-;104-85-8","C(#N)c1ccc(C)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["108-24-7","acetic anhydride;acetic acid, anhydride;acetanhydride;108-24-7","C(C)(=O)OC(C)=O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Specific Acetate Esters|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Specific Acetate Esters|SN2|SN2 >> Acylating agents|SN2 >> Acylating agents >> Specific Acetate Esters|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Specific Acetate Esters",1,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["109-55-7","3-(dimethylamino)propylamine;n%1&,n%1&-dimethyl-propane-1,3-diamine;1,3-propanediamine, n,n-dimethyl-;3-dimethylaminopropylamine;3-aminopropyldimethylamine;n,n-dimethylpropane-1,3-diamine","C(N)CCN(C)C","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["111-94-4","propanenitrile, 3,3'-iminobis-;3,3'-iminodiproprionitrile;propanenitrile, 3,3 -iminobis-;3-(2-cyano-ethylamino)-propionitrile;1-cyano-2-(2-cyanoethyl)aminoethane;3,3'-iminodipropiononitrile;propanenitrile, 3,3’-iminobis-;3,3'-iminodipropionitrile;3,3'-iminodipropanenitrile;bis(cyanoethyl)amine;bis (cyanoethyl) amine;111-94-4","C(#N)CCNCCC#N","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["121-89-1","3'-nitroacetophenone;m-nitroacetophenone;3-nitroacetophenone;ethanone, 1-(3-nitrophenyl)-;acetophenone, 3'-nitro-;1-(3-nitrophenyl)ethanone;121-89-1","C(C)(=O)c1cc(N(=O)=O)ccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Equivocal","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"Nitro-aromatic",1,null,0]
["122-59-8","phenoxyacetic acid;phenoxy-acetic acid;acetic acid, phenoxy-;phenoxy acetic acid;122-59-8","c1(OCC(=O)O)ccccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Inconclusive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["142-84-7","dipropylamine;dipropyl-amine;di-n-propylamine;1-propylaminopropane;1-propanamine, n-propyl-;n-propylpropan-1-amine;142-84-7","C(CC)NCCC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["539-48-0","p-xylenediamine;p-phenylenebis(methylamine);1,4-benzenedimethanamine;p-xylene-.alpha.,.alpha.'-diamine;methylamine, p-phenylenebis-","c1(CN)ccc(CN)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality, Conflict","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Acylation|Acylation >> P450 Mediated Activation to Isocyanates or Isothiocyanates|Acylation >> P450 Mediated Activation to Isocyanates or Isothiocyanates >> Benzylamines-Acylation|Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes|Schiff base formers|Schiff base formers >> Chemicals Activated by P450 to Mono-aldehydes|Schiff base formers >> Chemicals Activated by P450 to Mono-aldehydes >> Benzylamines-Schiff base",1,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["994-05-8","tert-amyl methyl ether;methyl-t-amyl ether;methyl tert-amyl ether;2-methoxy-2-methylbentane;butane, 2-methoxy-2-methyl-;2-methoxy-2-methylbutane;1,1-dimethylpropyl methyl ether;tertiary amyl methyl ether;ether, methyl tert-pentyl (6ci,7ci,8ci);994-05-8","C(C)(C)(CC)OC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["2223-82-7","neopentanediol diacrylate;2-propenoic acid, 2,2-dimethyl-1,3-propanediyl ester;2,2-dimethyl-1,3-propanediyl diacrylate;acrylic acid, 2,2-dimethyltrimethylene ester;2,2-dimethylpropane-1,3-diyl bisacrylate;2223-82-7","C(=O)(C=C)OCC(C)(C)COC(=O)C=C","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated esters",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["3680-02-02","methyl vinyl sulfone;(methylsulphonyl)ethylene;(methylsulfonyl)ethene;ethene, (methylsulfonyl)- (9ci);3680-02-2","C(=C)S(C)(=O)=O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["15980-15-1","1,4-thioxane;1,4-oxathiane","C1COCCS1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["822-06-0","1,6-hexamethylene diisocyanate;hexane, 1,6-diisocyanato-;hexamethylene diisocyanate;hexamethylene diisocyanate (hdi);isocyanic acid, hexamethylene ester;1,6-diisocyanatohexane;heymethylene diisocyanate;isocyanic acid, hexamethylene ester (8ci);822-06-0","C(=O)=NCCCCCCN=C=O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Acylation|Acylation >> Isocyanates and Isothiocyanates|Acylation >> Isocyanates and Isothiocyanates >> Isocyanates",1,"Isocyanate and isothiocyanate groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Isocyanate and isothiocyanate groups",1,"Isocyanate and isothiocyanate groups",1,null,0]
["4098-71-9","isophorone diisocyanate;cyclohexane, 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethyl-;3-isocyanatomethyl-3,5,5-trimethylcyclohexyl isocyanate;isocyanic acid, methylene(3,5,5-trimethyl-3,1-cyclohexylene) ester;5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane;4098-71-9","C1(C)(C)CC(C)(CN=C=O)CC(N=C=O)C1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Acylation|Acylation >> Isocyanates and Isothiocyanates|Acylation >> Isocyanates and Isothiocyanates >> Isocyanates",1,"Isocyanate and isothiocyanate groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Isocyanate and isothiocyanate groups",1,"Isocyanate and isothiocyanate groups",1,null,0]
["59-63-2","isocarboxazid;n'-benzyl-5-methylisoxazole-3-carbohydrazide;isocarboxazid(inn);3-isoxazolecarboxylic acid, 5-methyl-, 2-(phenylmethyl)hydrazide","C(=O)(C1C=C(C)ON=1)NNCc1ccccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes",1,"Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Hydrazine",1,"H-acceptor-path3-H-acceptor|Hydrazine",1,null,0]
["62450-07-1","3-amino-1-methyl-5h-pyrido[4,3-b]indole;trp-p-2 acetate;1-methyl-5h-pyrido[4,3-b]indol-3-amine;5h-pyrido(4,3-b)indole, 3-amino-1-methyl-","c12-c3c(cc(N)nc3C)Nc1cccc2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Moderate Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Heterocyclic Polycyclic Aromatic Hydrocarbons|Primary aromatic amine,hydroxyl amine and its derived esters",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons|Primary aromatic amine, hydroxyl amine and its derived esters",1,null,0]
["119-65-3","isoquinoline;119-65-3","c12c(cccc1)ccnc2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["480-81-9","seneciphylline;[1,6]dioxacyclododecino[2,3,4-gh]pyrrolizine-2,7-dione, 3-ethylidene-3,4,5,6,9,11,13,14,14a,14b-decahydro-6-hydroxy-6-methyl-5-methylene-, (3z,6r,14ar,14br)-;senecionan-11,16-dione, 13,19-didehydro-12-hydroxy- (9ci);480-81-9","C1(=O)C(C)(O)C(=C)CC(=CC)C(=O)OC2C3C(=CCN3CC2)CO1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated esters|SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"Pyrrolizidine alkaloids (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["580-21-2","2-fluoroquinoline","c12c(ccc(F)n1)cccc2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Inconclusive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["1121-55-7","3-vinylpyridine;3-vinyl-pyridine;pyridine, 3-ethenyl-","c1(C=C)cccnc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Moderate Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["6257-64-3","4,4'-bis(dimethylamino)azobenzene;n,n,n',n'-tetramethyl-4,4'-azodianiline;benzenamine, 4,4'-azobis[n,n-dimethyl-;4,4'-diazene-1,2-diylbis(n,n-dimethylaniline);p-dimethylaminoazobenzene;aniline, 4,4'-azobis(n,n-dimethyl- (8ci)","c1(N=Nc2ccc(N(C)C)cc2)ccc(N(C)C)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Inconclusive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic azo|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine",1,"Aromatic diazo (Genotox)|Aromatic mono-and dialkylamine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aromatic diazo|Aromatic mono-and dialkylamine",1,"Aromatic diazo|Aromatic mono- and dialkylamine|H-acceptor-path3-H-acceptor",1,null,0]
["16533-72-5","cis-2,3-epoxysuccinic acid;ep-0;cis-epoxysuccinic acid;(2r,3s)-oxirane-2,3-dicarboxylic acid;2,3-oxiranedicarboxylic acid, cis-","C(=O)(O)C1C(C(=O)O)O1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Inconclusive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides",1,"Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Epoxides and aziridines",1,"Epoxides and aziridines|H-acceptor-path3-H-acceptor",1,null,0]
["94730-48-0","cyanomorpholinoadriamycin","c12C(=O)c3c(C(=O)c1c(O)c1c(c2O)C(OC2CC(N4C(C#N)COCC4)C(O)C(C)O2)CC(O)(C(=O)CO)C1)cccc3OC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Inconclusive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Alkyl phenols|SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"Quinones (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones",1,"Quinones",1,"H-acceptor-path3-H-acceptor|Quinones",1,null,0]
["92-62-6","proflavine;acridine-3,6-diamine;3,6-diaminoacridine;3,6-acridinediamine","c12c(cc3c(cc(N)cc3)n1)ccc(N)c2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition|SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons|Primary aromatic amine,hydroxyl amine and its derived esters",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons|Primary aromatic amine, hydroxyl amine and its derived esters",1,null,0]
["2106-54-9","3,5,6-trichloro-2,2,3,4,4,5,6,6-octafluoro hexanoic acid;3,5,6-trichloro-2,2,3,4,4,5,6,6-octafluorohexanoic acid","C(F)(F)(Cl)C(F)(Cl)C(F)(F)C(F)(Cl)C(F)(F)C(=O)O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation >> Vicinal Dihaloalkanes",1,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["33419-42-0","etoposide (vp16);etopside;etoposide;furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5ah)-one, 9-[[4,6-o-(1r)-ethylidene-?-d-glucopyranosyl]oxy]-5,8,8a,9-tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)-, (5r,5ar,8ar,9s)-;etoposide (etop);(8ar,9r)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl 4,6-o-[(1r)-ethylidene]-beta-d-glucopyranoside;furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5ah)-one, 9-[(4,6-o-ethylidene-.beta.-d-glucopyranosyl)oxy]-5,8,8a,9-tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)-, [5r-[5.alpha.,5a.beta.,8a.alpha.,9.beta.(r*)]]-;furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5ah)-one-, 9-((4,6-o-ethylidene-beta-d-glucopyranosyl)oxy)5,8,8a,9-tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl), (5r-(5alpha,5abeta,8aalpha,9beta(r*)))-;33419-42-0","c1(OC)c(O)c(OC)cc(C2c3c(C(OC4C(O)C(O)C5C(COC(C)O5)O4)C4C2C(=O)OC4)cc2c(c3)OCO2)c1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Michael addition|Michael addition >> alpha, beta-unsaturated carabonyl compounds|Michael addition >> alpha, beta-unsaturated carabonyl compounds >> Four- and Five-Membered Lactones|SN2|SN2 >> Ring opening SN2 reaction|SN2 >> Ring opening SN2 reaction >> Four- and Five-Membered Lactones",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones",1,"1,3-Benzodioxoles (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"1,3-dialkoxy-benzene|H-acceptor-path3-H-acceptor|Oxolane",1,null,0]
["54-42-2","5-iodo-2'-deoxyuridine;uridine, 2'-deoxy-5-iodo-;idoxuridine;2'-deoxy-5-iodouridine","C1(=O)C(I)=CN(C2CC(O)C(CO)O2)C(=O)N1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives|SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives",1,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives",1,"alpha,beta-unsaturated carbonyls",1,"alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor|Oxolane",1,null,0]
["480-22-8","1,8,9-trihydroxyanthracene;dithranol;1,8,9-anthracenetriol;1,8,9-anthracenetriol\"","c1(O)c2c(O)c3c(cc2ccc1)cccc3O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Inconclusive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1,null,0]
["5667-20-9","6-n-hydroxylaminopurine;1h-purin-6-amine, n-hydroxy- (9ci)","c1(NO)c2c(N=CN2)ncn1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> N-hydroxylamines",1,"No alert found",0,"Imidazole, benzimidazole (Nongenotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> N-hydroxylamines",1,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters",1,null,0]
["57576-44-0","aclacinomycin a;aclarubicin [usan:ban:inn];aclarubicin;methyl (1r,2r,4s)-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-4-{[2,3,6-trideoxy-4-o-{2,6-dideoxy-4-o-[(2r,6s)-6-methyl-5-oxotetrahydro-2h-pyran-2-yl]-alpha-l-lyxo-hexopyranosyl}-3-(dimethylamino)-alpha-l-lyx|o-hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate;methyl (1r,2r,4s)-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-4-{[2,3,6-trideoxy-4-o-{2,6-dideoxy-4-o-[(2r,6s)-6-methyl-5-oxotetrahydro-2h-pyran-2-yl]-alpha-l-lyxo-hexopyranosyl}-3-(dimethylamino)-alp;1-naphthacenecarboxylic acid,(2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7-trihydroxy-6,11-dioxo-4-((2,3,6-trideoxy-4-o-(2,6-dideoxy-4-o-((2r-trans)-tetrahydro-6-methyl-5-oxo-2h-pyran-2-yl)-alpha-l-lyxo-hexopyranosyl)-3-(dimethylamino)-alpha-l-lyxo-hexopyranosyl)","c12C(=O)c3c(C(=O)c1c(O)c1c(C(C(=O)OC)C(O)(CC)CC1OC1CC(N(C)C)C(OC4CC(O)C(OC5CCC(=O)C(C)O5)C(C)O4)C(C)O1)c2)c(O)ccc3","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones",1,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"Quinones (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones",1,"Quinones",1,"H-acceptor-path3-H-acceptor|Quinones",1,null,0]
["151-67-7","halothane;ethane, 2-bromo-2-chloro-1,1,1-trifluoro-;2-bromo-2-chloro-1,1,1-trifluoroethane;151-67-7","C(F)(F)(F)C(Cl)Br","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes",1,"Acylation|Acylation >> P450 Mediated Activation to Acyl Halides|Acylation >> P450 Mediated Activation to Acyl Halides >> 1,1-Dihaloalkanes",1,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes",1,"Aliphatic halogens",1,"Aliphatic halogen",1,null,0]
["78-84-2","isobutyraldehyde;2-methyl-propionaldehyde;2-methylpropanal;2-methyl-1-propanal;isobutanal;propanal, 2-methyl-;isobutylaldehyde;78-84-2","C(=O)C(C)C","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Schiff base formers|Schiff base formers >> Direct Acting Schiff Base Formers|Schiff base formers >> Direct Acting Schiff Base Formers >> Mono aldehydes",1,"Simple aldehyde (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Simple aldehyde",1,"Simple aldehyde",1,null,0]
["89-57-6","mesalazine;benzoic acid, 5-amino-2-hydroxy-;5-aminosalicylic acid;mesalamine [usan];5-amino-2-hydroxybenzoic acid;mesalamine;89-57-6","C(=O)(O)c1c(O)ccc(N)c1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters",1,null,0]
["37517-30-9","acebutolol;butanamide, n-[3-acetyl-4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]phenyl]-;n-{3-acetyl-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl}butanamide;butanamide, n-[3-acetyl-4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]phenyl]-, (.+-.)-","C(C)(=O)c1c(OCC(O)CNC(C)C)ccc(NC(=O)CCC)c1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["51-98-9","norethisterone acetate;norethindrone acetate;19-norpregn-4-en-20-yn-3-one, 17-(acetyloxy)-, (17?)-;(17beta)-17-ethynyl-3-oxoestr-4-en-17-yl acetate;19-norpregn-4-en-20-yn-3-one, 17-(acetyloxy)-, (17.alpha.)-;17-acetoxy-19-nor-17.alpha.-pregn-4-en-20-yn-3-one;19-nor-17alpha-pregn-4-en-20-yn-3-one, 17-hydroxy-, acetate (8ci)","C(#C)C1(OC(C)=O)C2(C)C(C3C(C4C(=CC(=O)CC4)CC3)CC2)CC1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Specific Acetate Esters|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Specific Acetate Esters|SN2|SN2 >> Acylating agents|SN2 >> Acylating agents >> Specific Acetate Esters|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Specific Acetate Esters",1,"No alert found",0,"alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"alpha,beta-unsaturated carbonyls",1,"alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor",1,null,0]
["115-77-5","1,3-propanediol, 2,2-bis(hydroxymethyl)-;pentaerythritol;2,2-bis(hydroxymethyl)-1,3-propanediol;pentaerythritol\"\"\";pentaerytritol;2,2-bis(hydroxymethyl)propane-1,3-diol;pentaerythritol\"","C(CO)(CO)(CO)CO","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["88-44-8","benzenesulfonic acid, 2-amino-5-methyl-;2-amino-5-methyl benzenesulfonic acid;p-toluidine-m-sulfonic acid;4-amino-m-toluenesulfonic acid;2-amino-5-methylbenzenesulfonic acid;m-toluenesulfonic acid, 6-amino-;4-aminotoluene-3-sulfonic acid;4-aminotoluene-3-sulphonic acid;2-amino-5-methylbenzene sulfonic acid;88-44-8","c1(N)c(S(=O)(=O)O)cc(C)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["122-80-5","acetamide, n-(4-aminophenyl)-;p-aminoacetanilide;n-(4-amino-phenyl)-acetamide;4'-aminoacetanilide;p-amino acetanilide;acetanilide, 4'-amino-;n-(4-aminophenyl)acetamide;122-80-5","c1(N)ccc(NC(C)=O)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Aromatic N-acyl amine (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aromatic N-acyl amine|Primary aromatic amine,hydroxyl amine and its derived esters",1,"Aromatic N-acyl amine|H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters",1,null,0]
["119-64-2","naphthalene, 1,2,3,4-tetrahydro-;tetrahydronaphthalene;tetralin;1,2,3,4-tetrahydronaphthalene;119-64-2","c12c(cccc1)CCCC2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes",1,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["612-22-6","1-ethyl-2-nitrobenzene;o-ethylnitrobenzene;2-ethylnitrobenzene;benzene, 1-ethyl-2-nitro- (8ci)(9ci)","c1(N(=O)=O)c(CC)cccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Nitro-aromatic",1,"Nitro-aromatic",1,null,0]
["98-15-7","benzene, 1-chloro-3-(trifluoromethyl)-;3-trifluoromethyl-chlorobenzene;3-chlorobenzotrifluoride;m-chlorobenzotrifluoride;3-chloro-±,±,±-trifluorotoluene;3-chloro-?,?,?-trifluorotoluene;toluene, m-chloro-.alpha.,.alpha.,.alpha.-trifluoro-;1-chloro-3-(trifluoromethyl)benzene;toluene, m-chloro-alpha,alpha,alpha-trifluoro- (8ci)","C(F)(F)(F)c1cc(Cl)ccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["56-93-9","benzyltrimethylammonium chloride;benzyl trimethyl ammonium chloride;benzenemethanaminium, n,n,n-trimethyl-, chloride;benzyltrimethyl ammonium chloride;ammonium, benzyltrimethyl-, chloride;benzyltrimethylammonium chloridebenzenemethanaminium, n,n,n-trimethyl-, chloride;n,n,n-trimethyl(phenyl)methanaminium chloride;n,n,n-trimethylbenzenemethanaminium, chloride;benzylthrimethylammonium chloride","c1(CN{+}(C)(C)(C).Cl{-})ccccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes",1,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["1212-29-9","thiourea, n,n'-dicyclohexyl-;n,n'-dicyclohexylthiourea;n,n’-dicyclohexylthiourea;1,3-(dicyclohexyl)thiourea;urea, 1,3-dicyclohexyl-2-thio-;1,3-dicyclohexylthiourea","C(=S)(NC1CCCCC1)NC1CCCCC1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"No alert found",0,"Structural alert for nongenotoxic carcinogenicity|Thiocarbonyl (Nongenotox)",1,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["98-73-7","benzoic acid, 4-(1,1-dimethylethyl)-;p-t-butyl benzoic acid;p-tert-butylbenzoic acid;4-tert-butyl-benzoic acid;benzoic acid, 4-(tert-butyl)-;p-tert.-butyl-benzoic acid;4-tert-butylbenzoic acid;benzoic acid, p-tert-butyl-;p-t-butylbenzoic acid;4-t-butylbenzoic acid;98-73-7","C(=O)(O)c1ccc(C(C)(C)C)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["119-06-2","1,2-benzenedicarboxylic acid, ditridecyl ester;ditridecyl phthalate;di(tridecyl) phthalate;phthalic acid, ditridecyl ester;ditridecyl benzene-1,2-dicarboxylate","C(=O)(c1c(C(=O)OCCCCCCCCCCCCC)cccc1)OCCCCCCCCCCCCC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Phtalate (or buthyl) diesters and monoesters (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["78-67-1","2,2-azodiisobutyronitrile;2,2'-(e)-diazene-1,2-diylbis(2-methylpropanenitrile);2,2'-azobis(2-methylpropionitrile);propanenitrile, 2,2'-azobis 2-methyl-;propionitrile, 2,2'-azobis(2-methyl-;propanenitrile, 2,2'-azobis(2-methyl-;2,2'azobis(2-methylpropionitrile);2,2-azrobis(2-methylpropionitrile);2,2'-dimethyl-2,2'-azodipropiononitrile;propanenitrile, 2,2’-azobis[2-methyl-;propanenitrile, 2,2'-azobis[2-methyl-;2,2'-diazene-1,2-diylbis(2-methylpropanenitrile)","C(#N)C(C)(C)N=NC(C)(C)C#N","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Aliphatic azo and azoxy (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aliphatic azo and azoxy",1,"Aliphatic azo and azoxy|H-acceptor-path3-H-acceptor",1,null,0]
["92-06-8","m-terphenyl;1,1':3',1''-terphenyl;1,1’:3’,1’’-terphenyl","c1(-c2cc(-c3ccccc3)ccc2)ccccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["102-76-1","triacetin;glycerol triacetate;1,2,3-propanetriol, triacetate;glyceryl triacetate (triacetin);acetin, tri-;propane-1,2,3-triyl triacetate;glyceryl triacetate","C(C)(=O)OC(COC(C)=O)COC(C)=O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Specific Acetate Esters|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Specific Acetate Esters|SN2|SN2 >> Acylating agents|SN2 >> Acylating agents >> Specific Acetate Esters|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Specific Acetate Esters",1,"No alert found",0,"No alert found",0,"Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Specific Acetate Esters|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Specific Acetate Esters|SN2|SN2 >> Acylating agents|SN2 >> Acylating agents >> Specific Acetate Esters|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Specific Acetate Esters",1,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["110-63-4","1,4-butanediol;butane-1,4-diol","C(O)CCCO","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["674-82-8","diketene;2-oxetanone, 4-methylene-;but-3-en-3-olide;3-butenoic acid, 3-hydroxy-, .beta.-lactone;4-methyleneoxetan-2-one","C1(=O)CC(=C)O1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Michael addition|Michael addition >> alpha, beta-unsaturated carabonyl compounds|Michael addition >> alpha, beta-unsaturated carabonyl compounds >> Four- and Five-Membered Lactones|SN2|SN2 >> Ring opening SN2 reaction|SN2 >> Ring opening SN2 reaction >> Four- and Five-Membered Lactones",1,"No alert found",0,"Propiolactones or propiosultones (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Propiolactones or propiosultones",1,"H-acceptor-path3-H-acceptor|Propiolactones or propiosultones",1,null,0]
["7782-63-0","iron(ii) sulfate;ferrous sulfate heptahydrate;iron (ii) sulfate heptahydrate","O_O_O_O_O_O_O_O=S1(=O)O{-}.[Fe]{2+}.O{-}1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality, Conflict","NO","Romualdo Benigni","With S9","Inconclusive","CCRIS database,Toxnet databases","TA 102","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["609-19-8","3,4,5-trichlorophenol;trichlorophenol, 3,4,5-;3,4,5-trichloro-phenol;phenol, 3,4,5-trichloro-","c1(Cl)c(Cl)c(Cl)cc(O)c1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["540-59-0","1,2-dichloroethylene;cis,trans-1,2-dichloroethylene;cis & trans 1,2-dichloroethylene;ethene, 1,2-dichloro-;(e)-1,2-dichloroethene;1,2-dichloroethene;ethylene, 1,2-dichloro-;540-59-0","C(Cl)=CCl","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["626-43-7","3,5-dichloroaniline;3,5-dichloro-aniline;benzenamine, 3,5-dichloro-;3,5-dichlorobenzenamine;3,5-dichloroaniine","c1(Cl)cc(Cl)cc(N)c1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"Primary aromatic amine, hydroxyl amine and its derived esters",1,null,0]
["95-85-2","5-chloro-2-hydroxyaniline (2-amino-4-chlorophenol);2-amino-4-chlorophenol;phenol, 2-amino-4-chloro-;4chloro2aminophenol,whenusedasa substanceinhairdye products;95-85-2","c1(O)c(N)cc(Cl)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters",1,null,0]
["105-54-4","ethyl butyrate;ethylbutyrate;ethyl butanoate;butanoic acid, ethyl ester;butanoic acid;butyric acid, ethyl ester;105-54-4;et ester","C(=O)(CCC)OCC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Inconclusive","CCRIS database,Toxnet databases","TA 102","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["54-21-7","salicylic acid na+;sodium salicylate;benzoic acid, 2-hydroxy-, monosodium salt;sodium salicylate [usan];sodium 2-hydroxybenzoate","C(=O)(c1c(O)cccc1)O{-}.[Na]{+}","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["150-78-7","p-dimethoxybenzene;dimethoxybenzene, 1,4-;hydroquinone dimethyl ether;1,4-dimethoxybenzene;benzene, 1,4-dimethoxy-;benzene, p-dimethoxy-;150-78-7","c1(OC)ccc(OC)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones",1,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["1319-77-3","p-cresol;cresol;phenol, methyl-","c1(O)ccc(C)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality, Conflict","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Alkyl phenols",1,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["626-16-4","benzene, 1,3-bis(chloromethyl)-;alpha,alpha'-dichloro-m-xylene;1,3-(bis-chloromethyl)benzene;1,3-bis(chloromethyl)benzene;m-xylene, .alpha.,.alpha.'-dichloro-;m-xylene, alpha,alpha'-dichloro-","c1(CCl)cc(CCl)ccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","Without S9","Inconclusive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes|SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides",1,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups",1,"Aliphatic halogens",1,"Aliphatic halogen",1,null,0]
["75-52-5","nitromethane;methane, nitro-;75-52-5","CN(=O)=O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["91-19-0","quinoxaline","c12c(cccc1)nccn2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["98-37-3","benzenesulfonic acid, 3-amino-4-hydroxy-;2-amino-1-phenol-4-sulfonic acid;2-aminophenol-4-sulfonic acid;2-hydroxy-5-sulphoaniline;3-amino-4-hydroxybenzenesulphonic acid;metanilic acid, 4-hydroxy-;3-amino-4-hydroxybenzenesulfonic acid;metanilic acid, 4-hydroxy- (8ci)","c1(O)c(N)cc(S(=O)(=O)O)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["104-91-6","4-nitrosophenol;p-quinone monooxime;4-nitroso-phenol;p-nitrosophenol;phenol, 4-nitroso-;phenol, p-nitroso-;4nitrosophenol","c1(O)ccc(N=O)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitroso",1,"Aromatic nitroso group (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"Aromatic nitroso group",1,"Aromatic nitroso group  |H-acceptor-path3-H-acceptor",1,null,0]
["109-08-0","2-methylpyrazine;methylpyrazine;2-methyl-pyrazine;pyrazine, methyl-;pyrazine, 2-methyl-;109-08-0","c1(C)cnccn1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["288-32-4","imidazole;1h-imidazole;imidazole  (solid);imidazole:;imidazol","C1=CN=CN1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Imidazole, benzimidazole (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["530-78-9","flufenamic acid (n-(a,a,a-trifluoro-m-toly)anthranilic acid);flufenamic acid;2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid;benzoic acid, 2-[[3-(trifluoromethyl)phenyl]amino]-;2-[[3-(trifluoromethyl)phenyl]amino]benzoic acid;anthranilic acid, n-(alpha,alpha,alpha-trifluoro-m-tolyl)-;530-78-9","C(=O)(O)c1c(Nc2cc(C(F)(F)F)ccc2)cccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Inconclusive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["553-97-9","methyl hydroquinone;methyl-1,4-benzoquinone;p-toluquinone;2-methyl-1,4-benzoquinone;methyl-p-benzoquinone;2,5-cyclohexadiene-1,4-dione, 2-methyl-;p-benzoquinone, 2-methyl-;2-methylcyclohexa-2,5-diene-1,4-dione;2-methyl-p-benzoquinone","C1(C)C(=O)C=CC(=O)C=1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Inconclusive","CCRIS database,Toxnet databases","TA 102","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones",1,"Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated ketones|Michael addition >> Quinones and Quinone-type Chemicals|Michael addition >> Quinones and Quinone-type Chemicals >> Quinones",1,"Quinones (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones",1,"Quinones",1,"H-acceptor-path3-H-acceptor|Quinones",1,null,0]
["873-75-6","4-bromobenzyl alcohol;p-bromobenzyl alcohol;benzenemethanol, 4-bromo-;(4-bromophenyl)methanol;4-bromobenzenemethanol","c1(Br)ccc(CO)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","Without S9","Inconclusive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["2835-68-9","4-aminobenzamide;benzamide, 4-amino-;benzamide, p-amino-;p-aminobenzamide;benzamide, p-amino- (8ci)","C(N)(=O)c1ccc(N)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters",1,null,0]
["3252-43-5","dibromoacetonitrile;acetonitrile, dibromo-;3252-43-5","C(#N)C(Br)Br","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups",1,"No alert found",0,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups",1,"Aliphatic halogens",1,"Aliphatic halogen",1,null,0]
["50-35-1","thalidomide;2-(2,6-dioxopiperidin-3-yl)-1h-isoindole-1,3(2h)-dione;thalidomide(inn) anditssalts;2-(2,6-dioxo-3-piperidinyl)-1h-isoindole-1,3(2h)dione;1h-isoindole-1,3(2h)-dione, 2-(2,6-dioxo-3-piperidinyl)-","C1(=O)c2c(C(=O)N1C1C(=O)NC(=O)CC1)cccc2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"No alert found",{"$f":"IF(AA4069=\"No alert found\",0,1)","v":0},"No alert found",{"$f":"IF(AC4069=\"No alert found\",0,1)","v":0},"No alert found",{"$f":"IF(AE4069=\"No alert found\",0,1)","v":0},"H-acceptor-path3-H-acceptor",{"$f":"IF(AG4069=\"No alert found\",0,1)","v":1},null,{"$f":"IF(AG4069=\"H-acceptor-path3-H-acceptor\",1,0)","v":1}]
["50-44-2","6-mercaptopurine","C1(=S)C2=C(N=CN2)NC=N1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Specific Imine and Thione Derivatives|SN2|SN2 >> Diazonium ion formation|SN2 >> Diazonium ion formation >> Specific Imine and Thione Derivatives",1,"No alert found",0,"Imidazole, benzimidazole (Nongenotox)|Structural alert for nongenotoxic carcinogenicity|Thiocarbonyl (Nongenotox)",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Specific Imine and Thione Derivatives|SN2|SN2 >> Diazonium ion formation|SN2 >> Diazonium ion formation >> Specific Imine and Thione Derivatives",1,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["51-30-9","isoproterenol hydrochloride","c1(O)c(O)cc(C(O)CNC(C)C)cc1_Cl{-}_R","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones|No alert found",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["55-31-2","l-epinephrine hydrochloride","c1(O)c(O)cc(C(O)CNC)cc1_Cl{-}_R","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones|No alert found",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["56-04-2","methylthiouracil;6-methyl-2-thioxo-2,3-dihydro-1h-pyrimidin-4-one;4(1h)-pyrimidinone, 2,3-dihydro-6-methyl-2-thioxo-;uracil, 6-methyl-2-thio-;6-methyl-2-thioxo-2,3-dihydropyrimidin-4(1h)-one;2,3-dihydro-6-methyl-2-thioxo-4(1h)-pyrimidinone","C1(=O)C=C(C)NC(=S)N1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"No alert found",0,"alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for nongenotoxic carcinogenicity|Structural alerts for both genotoxic and nongenotoxic carcinogenicity|Thiocarbonyl (Nongenotox)",1,"No alert found",0,"alpha,beta-unsaturated carbonyls",1,"alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor",1,null,0]
["58-19-5","dromostanolone;drostanolone;(2alpha,5alpha,17beta)-17-hydroxy-2-methylandrostan-3-one;methalone;androstan-3-one, 17-hydroxy-2-methyl-, (2alpha,5alpha,17beta)- (9ci)","C12(C)C(C3C(C4(C)C(CC(=O)C(C)C4)CC3)CC1)CCC2O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["59-00-7","xanthurenic acid","C1(=O)c2c(c(O)ccc2)NC(C(=O)O)=C1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","Without S9","Inconclusive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"alpha,beta-unsaturated carbonyls",1,"alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor",1,null,0]
["60-24-2","2-mercaptoethanol;2-mercapto-ethanol;ethanol, 2-mercapto-;b-mercaptoethanol;2-sulfanylethanol;60-24-2","C(S)CO","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","Without S9","Inconclusive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Generation of reactive oxygen species|Radical >> Generation of reactive oxygen species >> Thiols",1,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["61-76-7","phenylephrine hydrochloride","c1(C(O)CNC)cc(O)ccc1_Cl{-}_R","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["62-38-4","phenyl mercuric acetate;phenylmercuric acetate;mercury, (acetato-o)phenyl-;phenylmercury acetate;mercury, (acetato-.kappa.o)phenyl-;mercury, (acetato)phenyl-;phenylmercuric acetate [usan];phenylmercury(1+) acetate;(acetato-kappao)phenylmercury","c1([Hg]{+}.O{-}C(C)=O)ccccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Metals, oxidative stress (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["67-71-0","dimethyl sulphone;dimethyl sulfone;methane, sulfonylbis-;methyl sulfone;sulfonyldimethane;methylsulfonylmethane","CS(C)(=O)=O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["69-74-9","cytarabine hydrochloride","C1(N)C=CN(C2C(O)C(O)C(CO)O2)C(=O)N=1_Cl{-}_R","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"No alert found|SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor|No alert found|Oxolane",1,null,0]
["72-14-0","sulfathiazole;4-amino-n-thiazol-2-yl-benzenesulfonamide;sulfathiozole;benzenesulfonamide, 4-amino-n-2-thiazolyl-;4-amino-n-(1,3-thiazol-2-yl)benzenesulfonamide;sulfanilamide, n1-2-thiazolyl-;sulfanilamide, n1-4-thiazolin-2-ylidene-;4-amino-n-2-thiazolybenzenesulfonamide;sulfanilamide, n1-2-thiazolyl- (8ci)","c1(S(=O)(=O)NC2=NC=CS2)ccc(N)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Benzenesulfonic ethers, methylation (Nongenotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters",1,null,0]
["75-17-2","formaldoxime;formamide oxime;formaldehyde oxime;formaldehyde, oxime","C=NO","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 102","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> N-hydroxylamines",1,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["75-77-4","trimethylchlorosilane;chlorotrimethylsilane;silane, chlorotrimethyl-;chloro(trimethyl)silane;75-77-4","C[Si](C)(C)Cl","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["77-58-7","dibutyltin dilaurate;dodecanoic acid, 1,1'-(dibutylstannylene) ester;stannane, dibutylbis[(1-oxododecyl)oxy]-;dibutyltin dilauratestannane, dibutylbis(lauroyloxy)-;stannane, dibutylbis((1-oxododecyl)oxy)-;tin, dibutylbis(lauroyloxy)-;dibutylbis[(1-oxododecyl)oxy]stannane","C(=O)(CCCCCCCCCCC)O[Sn](CCCC)(CCCC)OC(=O)CCCCCCCCCCC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["78-97-7","2-hydroxypropanenitrile;lactonitrile;propanenitrile, 2-hydroxy-;(1)-2-hydroxypropiononitrile","C(#N)C(C)O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["80-13-7","halazone;halazon;benzoic acid, 4-[(dichloroamino)sulfonyl]-;4-(dichlorosulfamoyl)benzoic acid;benzoic acid, 4-((dichloroamino)sulfonyl)-","C(=O)(O)c1ccc(S(=O)(=O)N(Cl)Cl)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["81-54-9","purpurin;1,2,4-trihydroxy-anthraquinone;1,2,4-trihydroxyanthraquinone;purpurine;1,2,4-trihydroxyanthracene-9,10-dione;1,2,4-trihydroxy-9,10-anthracenedione;9,10-anthracenedione, 1,2,4-trihydroxy- (9ci)","c12C(=O)c3c(C(=O)c1c(O)c(O)cc2O)cccc3","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones",1,"Quinones (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones",1,"Quinones",1,"H-acceptor-path3-H-acceptor|Quinones",1,null,0]
["82-50-8","5-nitro-1-sulfonatoanthraquinone;5-anthracenesulfonic acid, 9,10-dihydro-9,10-dioxo-1-nitro-;9,10-dihydro-5-nitro-9,10-dioxoanthracenesulphonic acid;1-anthracenesulfonic acid, 9,10-dihydro-5-nitro-9,10-dioxo-;1-anthraquinonesulfonic acid, 5-nitro-;5-nitro-9,10-dioxo-9,10-dihydroanthracene-1-sulfonic acid","c12C(=O)c3c(C(=O)c1c(N(=O)=O)ccc2)cccc3S(=O)(=O)O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Radical >> Radical mechanism by ROS formation >> Quinones|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Quinones (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Radical >> Radical mechanism by ROS formation >> Quinones|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Quinones",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic|Quinones",1,null,0]
["83-07-8","4-aminoantipyrine;ampyrone;3h-pyrazol-3-one, 4-amino-1,2-dihydro-1,5-dimethyl-2-phenyl-;4-amino-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one;4-amino-1,5-dimethyl-2-phenyl-1,2-dihydro-3h-pyrazol-3-one;4-aminoantipyrene","C1(=O)C(N)=C(C)N(C)N1c1ccccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary (unsaturated) heterocyclic amine",1,"alpha,beta-unsaturated carbonyls (Genotox)|Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"alpha,beta-unsaturated carbonyls|Hydrazine",1,"alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor|Hydrazine",1,null,0]
["84-56-0","1-azabenz[a]anthracene;naphtho(2,3-h)quinoline","c12c(c3c(cc4c(cccc4)c3)cc1)nccc2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Heterocyclic Polycyclic Aromatic Hydrocarbons|Polycyclic Aromatic Hydrocarbons",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons|Polycyclic Aromatic Hydrocarbons",1,null,0]
["85-86-9","c.i. solvent red 23;1-(4-(phenylazo)phenylazo)-2-naphthol;2-naphthalenol, 1-[[4-(phenylazo)phenyl]azo]-","C1(=O)C(=NNc2ccc(N=Nc3ccccc3)cc2)c2c(C=C1)cccc2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic azo",1,"Aromatic diazo (Genotox)|Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aromatic diazo|Hydrazine",1,"Aromatic diazo|H-acceptor-path3-H-acceptor|Hydrazine",1,null,0]
["86-59-9","8-quinolinecarboxylic acid;quinoline-8-carboxylic acid","C(=O)(O)c1c2c(cccn2)ccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Moderate Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["88-14-2","2-furoic acid;furan-2-carboxylic acid;2-furancarboxylic acid","C(=O)(O)C1=CC=CO1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","Without S9","Inconclusive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation of Heterocyclic Ring Systems|Michael addition >> P450 Mediated Activation of Heterocyclic Ring Systems >> Furans",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["88-21-1","o-aminobenzenesulfonic acid;2-amino-benzenesulfonic acid;o-anilinesulfonic acid;orthanilic acid;o-amino benzenesulfonic acid;2-aminobenzenesulphonic acid;benzenesulfonic acid, 2-amino-;benzenesulfonic acid, o-amino-;2-aminobenzenesulfonic acid","c1(S(=O)(=O)O)c(N)cccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Equivocal","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["89-87-2","4-nitro-m-xylene;benzene, 2,4-dimethyl-1-nitro-;m-xylene, 4-nitro-;2,4-dimethyl-1-nitrobenzene;4-nitro-1,3-dimethylbenzene;m-xylene, 4-nitro- (8ci)","c1(N(=O)=O)c(C)cc(C)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Inconclusive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Nitro-aromatic",1,"Nitro-aromatic",1,null,0]
["91-44-1","7-diethylamino-4-methylcoumarin;4-methyl-7-diethylaminocoumarin;7-(diethylamino)-4-methyl-2-benzopyrone;2h-1-benzopyran-2-one, 7-(diethylamino)-4-methyl-;7-(diethylamino)-4-methyl-2h-chromen-2-one;coumarin, 7-(diethylamino)-4-methyl-","C1(C)c2c(cc(N(CC)CC)cc2)OC(=O)C=1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Generation of reactive oxygen species|Radical >> Generation of reactive oxygen species >> Coumarins|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Coumarins",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine",1,"Aromatic mono-and dialkylamine (Genotox)|Coumarins and Furocoumarins (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aromatic mono-and dialkylamine|Coumarins and Furocoumarins",1,"Aromatic mono- and dialkylamine|Coumarins and Furocoumarins|H-acceptor-path3-H-acceptor",1,null,0]
["91-97-4","1,1'-biphenyl, 4,4'-diisocyanato-3,3'-dimethyl-;bitolylene diisocyanate;3,3'-dimethylbiphenyl-4,4'-diyl diisocyanate;1,1’-biphenyl, 4,4’-diisocyanato-3,3’-dimethyl-;4,4'-diisocyanato-3,3'-dimethylbiphenyl;isocyanic acid, 3,3'-dimethyl-4,4'-biphenylylene ester;1-isocyanato-4-(4-isocyanato-3-methyl-phenyl)-2-methyl-benzene","c1(-c2cc(C)c(N=C=O)cc2)cc(C)c(N=C=O)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Acylation|Acylation >> Isocyanates and Isothiocyanates|Acylation >> Isocyanates and Isothiocyanates >> Isocyanates",1,"Isocyanate and isothiocyanate groups (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Isocyanate and isothiocyanate groups|Primary aromatic amine,hydroxyl amine and its derived esters",1,"Isocyanate and isothiocyanate groups|Primary aromatic amine, hydroxyl amine and its derived esters",1,null,0]
["93-45-8","4-(2-naphthylamino)phenol;n-(4-hydroxyphenyl)-2-naphthylamine;p-(2-naphthylamino)phenol;phenol, 4-(2-naphthalenylamino)-;phenol, p-(2-naphthylamino)-;4-(naphthalen-2-ylamino)phenol;93-45-8","c12c(cc(Nc3ccc(O)cc3)cc1)cccc2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["96-54-8","n-methylpyrrole;1h-pyrrole, 1-methyl-;1-methylpyrrole;pyrrole, 1-methyl-;1-methyl-1h-pyrrole","C1C=CN(C)C=1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["97-41-6","ethylchrysanthemate;ethyl chrysanthemate;ethyl 2,2-dimethyl-3-(2-methylpropenyl)cyclopropanecarboxylate;cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, ethyl ester;cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methylpropenyl)-, ethyl ester;chrysanthemummonocarboxylic acid, ethyl ester;ethyl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate;cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methylpropenyl)-, ethyl ester (8ci);97-41-6","C(=O)(C1C(C)(C)C1C=C(C)C)OCC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["98-91-9","benzenecarbothioic acid;thiobenzoic acid","C(=O)(S)c1ccccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Generation of reactive oxygen species|Radical >> Generation of reactive oxygen species >> Thiols",1,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["99-73-0","4-bromophenacyl bromide;ethanone, 2-bromo-1-(4-bromophenyl)-;2,4'-dibromoacetophenone;acetophenone, 2,4'-dibromo-;2-bromo-1-(4-bromophenyl)ethanone","C(=O)(c1ccc(Br)cc1)CBr","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups",1,"No alert found",0,"Aliphatic halogens (Genotox)|Halogenated benzene (Nongenotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups",1,"Aliphatic halogens",1,"Aliphatic halogen",1,null,0]
["102-01-2","acetoacetanilide;butanamide, 3-oxo-n-phenyl-;3-oxo-n-phenylbutanamide;102-01-2","c1(NC(=O)CC(C)=O)ccccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["102-96-5","beta-nitrostyrene;styrene and beta-nitrostyrene,mixture;?-nitrostyrene;benzene, (2-nitroethenyl)-;[(e)-2-nitroethenyl]benzene;(2-nitroethenyl)benzene","c1(C=CN(=O)=O)ccccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["103-34-4","4,4'-dithiodimorpholine;morpholine, 4,4'-dithiobis-;dr0008045;di(morpholin-4-yl) disulphide;morpholine, 4,4’-dithiobis-;morpholine, 4,4'-dithiodi-;4,4'-disulfanediyldimorpholine;103-34-4","C1CN(SSN2CCOCC2)CCO1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["105-48-6","chloroacetic acid isopropyl ester;isopropyl chloroacetate;acetic acid, chloro-, 1-methylethyl ester;acetic acid, chloro-, isopropyl ester\";acetic acid, chloro-, isopropyl ester;acetic acid, chloro-, isopropyl ester (8ci)","C(=O)(CCl)OC(C)C","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","Without S9","Inconclusive","CCRIS database,Toxnet databases","TA 102","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups",1,"No alert found",0,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups",1,"Aliphatic halogens",1,"Aliphatic halogen|H-acceptor-path3-H-acceptor",1,null,0]
["107-25-5","vinyl methyl ether;methylvinylether;methyl vinyl ether;ethene, methoxy-;ether, methyl vinyl;methoxyethene;107-25-5","C(=C)OC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"alpha,beta-unsaturated aliphatic alkoxy group (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"alpha,beta-unsaturated aliphatic alkoxy group",1,"alpha,beta-unsaturated aliphatic alkoxy group",1,null,0]
["107-51-7","octamethyltrisiloxane;trisiloxane, octamethyl-;trisiloxane, 1,1,1,3,3,5,5,5-octamethyl-","C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["110-18-9","n,n,n',n'-tetramethylethylenediamine;n,n,n',n'-tetrame ethylenediamine;1,2-bisdimethylaminoethane;1,2-ethanediamine, n,n,n’,n’-tetramethyl-;1,2-ethanediamine, n,n,n',n'-tetramethyl-;ethylenediamine, n,n,n',n'-tetramethyl-;n,n,n',n'-tetramethylethane-1,2-diamine","C(CN(C)C)N(C)C","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["110-72-5","1,2-ethanediamine, n-ethyl-","HN{+}(H)CCN{+}(H)CC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["112-52-7","lauryl chloride;dodecane, 1-chloro-;1-chlorododecane","C(Cl)CCCCCCCCCCC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides",1,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aliphatic halogens",1,"Aliphatic halogen",1,null,0]
["117-12-4","anthrarufin;1,5-dihydroxyanthraquinone;anthraquinone, 1,5-dihydroxy-;9,10-anthracenedione, 1,5-dihydroxy-;1,5-dihydroxyanthracene-9,10-dione;1,5-dihydroxy-9,10-anthracenedione","c12C(=O)c3c(C(=O)c1c(O)ccc2)cccc3O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones",1,"No alert found",0,"Quinones (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones",1,"Quinones",1,"H-acceptor-path3-H-acceptor|Quinones",1,null,0]
["118-71-8","3-hydroxy-2-methyl-4-pyrone;4h-pyran-4-one, 3-hydroxy-2-methyl-;maltol;3-hydroxy-2-methyl-4h-pyran-4-one;118-71-8;3-hydroxy-2-methyl-4<i>h</i>-pyran-4-one","C1(=O)C(O)=C(C)OC=C1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Inconclusive","CCRIS database,Toxnet databases","TA 102","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"alpha,beta-unsaturated carbonyls",1,"alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor",1,null,0]
["120-57-0","piperonal;1,3-benzodioxole-5-carboxaldehyde;3,4-(methylenedioxy)benzaldehyde;1,3-benzodioxole-5-carbaldehyde;3,4-(methylene-dioxy)benzaldehyde;3,4-methylenedioxybenzaldehyde","c12c(cc(C=O)cc1)OCO2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Methylenedioxyphenyl",1,"1,3-Benzodioxoles (Nongenotox)|Simple aldehyde (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"No alert found",0,"Simple aldehyde",1,"H-acceptor-path3-H-acceptor|Simple aldehyde",1,null,0]
["121-54-0","benzethonium chloride;diisobutylphenoxyethoxyethyl dimethyl benzyl ammonium chloride;benzenemethanaminium, n,n-dimethyl-n-[2-[2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy]ethyl]-, chloride;ammonium, benzyldimethylХ2-Х2-Хp-(1,1,3,3-tetramethylbutyl)phenoxyеethoxyеethylе-, chloride;benzenemethanaminium, n,n-dimethyl-n-Х2-Х2-Х4-(1,1,3,3-tetramethylbutyl)phenoxyеethoxyеethylе-, chloride;n-benzyl-n,n-dimethyl-2-{2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy}ethanaminium chloride;n,n-dimethyl-n-[2-[2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy]ethyl]benzenemethanaminium, chloride","C(C)(C)(c1ccc(OCCOCCN{+}(C)(C)(.Cl{-})Cc2ccccc2)cc1)CC(C)(C)C","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["121-61-9","n4-acetylsulfanilamide;n-(4-sulfamoyl-phenyl)-acetamide;acetamide, n-[4-(aminosulfonyl)phenyl];4'-sulphamoylacetanilide;n-(4-sulfamoylphenyl)acetamide;4'-sulfamylacetanilide;acetamide, n-(4-(aminosulfonyl)phenyl)- (9ci)","c1(S(N)(=O)=O)ccc(NC(C)=O)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Aromatic N-acyl amine (Genotox)|Benzenesulfonic ethers, methylation (Nongenotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"No alert found",0,"Aromatic N-acyl amine",1,"Aromatic N-acyl amine|H-acceptor-path3-H-acceptor",1,null,0]
["123-32-0","2,5-dimethylpyrazine;2,5-dimethyl-pyrazine;pyrazine, 2,5-dimethyl-;123-32-0","c1(C)cnc(C)cn1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["124-02-7","diallylamine;diallyl-amine;n-2-propenyl-2-propen-1-amine;1-allylaminoprop-2-ene;2-propen-1-amine, n-2-propenyl-;n-(prop-2-en-1-yl)prop-2-en-1-amine;124-02-7","C(=C)CNCC=C","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["126-92-1","sodium 2-ethylhexyl sulfate;sodium etasulfate;sulfuric acid, mono(2-ethylhexyl) ester, sodium salt;1-hexanol, 2-ethyl-, hydrogen sulfate, sodium salt","C(CCCC)(CC)COS(=O)(=O)O{-}.[Na]{+}","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Structural alert for nongenotoxic carcinogenicity|Substituted n-alkylcarboxylic acids (Nongenotox)",1,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["129-44-2","1,5-diaminoanthraquinone;9,10-anthracenedione, 1,5-diamino-;anthraquinone, 1,5-diamino-;1,5-diaminoanthracene-9,10-dione","c12C(=O)c3c(C(=O)c1c(N)ccc2)cccc3N","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Quinones (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Primary aromatic amine,hydroxyl amine and its derived esters|Quinones",1,"H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters|Quinones",1,null,0]
["131-12-4","pimpinellin;2h-furo(2,3-h)-1-benzopyran-2-one, 5,6-dimethoxy-","c1(OC)c(OC)c2c(c3c1C=CC(=O)O3)C=CO2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Inconclusive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Generation of reactive oxygen species|Radical >> Generation of reactive oxygen species >> Coumarins|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Coumarins",1,"SN2|SN2 >> P450 Mediated Epoxidation|SN2 >> P450 Mediated Epoxidation >> Coumarins",1,"Coumarins and Furocoumarins (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Generation of reactive oxygen species|Radical >> Generation of reactive oxygen species >> Coumarins|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Coumarins",1,"Coumarins and Furocoumarins",1,"1,3-dialkoxy-benzene|Coumarins and Furocoumarins|H-acceptor-path3-H-acceptor",1,null,0]
["133-32-4","indole-3-butyric acid;4-(1h-indol-3-yl)-butyric acid;3-indolebutyric acid;4-(indol-3-yl)butyric acid;1h-indole-3-butanoic acid;indole-3-butyric acid (iba);4-(1h-indol-3-yl)butanoic acid","C1(CCCC(=O)O)c2c(cccc2)NC=1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["135-23-9","methapyrilene hydrochloride","c1(N(CC2=CC=CS2)CCN(C)C)ccccn1_Cl{-}_R","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation of Heterocyclic Ring Systems|Michael addition >> P450 Mediated Activation of Heterocyclic Ring Systems >> Thiophenes-Michael addition|No alert found|SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine|SN2|SN2 >> P450 Mediated Epoxidation|SN2 >> P450 Mediated Epoxidation >> Thiophenes-SN2",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["135-73-9","p-phenylphenacyl bromide;biphenyl-4-yl bromomethyl ketone;ethanone, 1-[1,1'-biphenyl]-4-yl-2-bromo-;1-(biphenyl-4-yl)-2-bromoethanone;1-(1,1'-biphenyl)-4-yl-2-bromoethanone;acetophenone, 2-bromo-4'-phenyl- (8ci)","C(=O)(c1ccc(-c2ccccc2)cc1)CBr","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Equivocal","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups",1,"No alert found",0,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups",1,"Aliphatic halogens",1,"Aliphatic halogen",1,null,0]
["140-03-4","methyl acetyl ricinoleate;methyl acetylricinolate;methyl o-acetylricinoleate;9-octadecenoic acid, 12-(acetyloxy)-, methyl ester, [r-(z)]-;9-octadecenoic acid, 12-(acetyloxy)-, methyl ester, (9z,12r)-;methyl (9z,12r)-12-(acetyloxy)octadec-9-enoate;ricinoleic acid acetate, methyl ester;9-octadecenoic acid, 12-(acetyloxy)-, methyl ester, (r-(z))- (9ci)","C(=O)(CCCCCCCC=CCC(CCCCCC)OC(C)=O)OC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Inconclusive","CCRIS database,Toxnet databases","TA 102","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Specific Acetate Esters|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Specific Acetate Esters|SN2|SN2 >> Acylating agents|SN2 >> Acylating agents >> Specific Acetate Esters|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Specific Acetate Esters",1,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["140-53-4","benzeneacetonitrile, 4-chloro-;4-chlorophenylacetonitrile;acetonitrile, (p-chlorophenyl)-;(4-chlorophenyl)acetonitrile;140-53-4","c1(Cl)ccc(CC#N)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["141-86-6","2,6-diaminopyridine;pyridine-2,6-diamine;2,6-pyridinediamine;pyridine-2,6-diyldiamine;pyridine, 2,6-diamino-","c1(N)cccc(N)n1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"Primary aromatic amine, hydroxyl amine and its derived esters",1,null,0]
["144-82-1","sulfamethizole;sulfamethiazole;benzenesulfonamide, 4-amino-n-(5-methyl-1,3,4-thiadiazol-2-yl)-;4-amino-n-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;144-82-1","c1(S(=O)(=O)NC2=NN=C(C)S2)ccc(N)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Benzenesulfonic ethers, methylation (Nongenotox)|Hydrazine (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Hydrazine|Primary aromatic amine,hydroxyl amine and its derived esters",1,"H-acceptor-path3-H-acceptor|Hydrazine|Primary aromatic amine, hydroxyl amine and its derived esters",1,null,0]
["146-22-5","nitrazepam;7-nitro-5-phenyl-1,3-dihydro-benzo[e][1,4]diazepin-2-one;2h-1,4-benzodiazepin-2-one, 1,3-dihydro-7-nitro-5-phenyl-;7-nitro-5-phenyl-1,3-dihydro-2h-1,4-benzodiazepin-2-one;146-22-5","c1(C2c3c(ccc(N(=O)=O)c3)NC(=O)CN=2)ccccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic",1,null,0]
["149-30-4","2(3h)-benzothiazolethione;2-mercaptobenzothiazole;149-30-4;2(3<i>h</i>)-benzothiazolethione","c12c(cccc1)NC(=S)S2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["152-20-5","o,o,s-trimethyl phosphorothioate;phosphorothioic acid, o,o,s-trimethyl ester;152-20-5","COP(=O)(OC)SC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Moderate Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"No alert found",0,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid|H-acceptor-path3-H-acceptor",1,null,0]
["156-25-2","4'-(n,n-dimethylamino)-1'-phenylazo-3-pyridine","c1(N=Nc2cccnc2)ccc(N(C)C)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic azo|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine",1,"Aromatic diazo (Genotox)|Aromatic mono-and dialkylamine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aromatic diazo|Aromatic mono-and dialkylamine",1,"Aromatic diazo|Aromatic mono- and dialkylamine|H-acceptor-path3-H-acceptor",1,null,0]
["194-69-4","benzo[c]chrysene;benzo(c)chrysene","c12c(c3c(c4c5c(ccc4cc3)cccc5)cc1)cccc2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Moderate Quality","NO","Romualdo Benigni","With S9","Inconclusive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1",1,"Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1,null,0]
["214-17-5","benzo[b]chrysene;benzo(b)chrysene;benzo[c]tetraphene","c12c(c3c(c4c(cc5c(cccc5)c4)cc3)cc1)cccc2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Inconclusive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition|SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1",1,"Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1,null,0]
["286-75-9","1,2:5,6-diepoxycyclooctane;5,10-dioxatricyclo[7.1.0.04,6]decane;5,10-dioxatricyclo[7.1.0.0~4,6~]decane;5,10-dioxatricyclo(7.1.0.04,6)decane","C12C(CCC3C(CC1)O3)O2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","Without S9","Inconclusive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides",1,"Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Epoxides and aziridines",1,"Epoxides and aziridines",1,null,0]
["302-84-1","dl-serine;(r)-2-amino-3-hydroxy-propionic acid;serine;serine dl-form;d,l-serine","C(=O)(O)C(N)CO","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Inconclusive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["304-59-6","potassium sodium tartrate;tartaric acid, monopotassium monosodium salt;butanedioic acid, 2,3-dihydroxy- [r-(r*,r*)]-, monopotassium monosodium salt;potassium sodium tartratebutanedioic acid, 2,3-dihydroxy- Хr-(r*,r*)е-, monopotassium monosodium salt;potassium sodium 2,3-dihydroxybutanedioate;potassium sodium tartarate","C(=O)(C(O)C(O)C(=O)O{-}.[Na]{+})O{-}.K{+}","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["318-98-9","propranolol hydrochloride","c1(OCC(O)CNC(C)C)c2c(cccc2)ccc1_Cl{-}_R","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["362-06-1","2-hydroxyestrone;2-oh-estrone","C1(=O)C2(C)C(C3C(c4c(cc(O)c(O)c4)CC3)CC2)CC1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Alkyl phenols",1,"Steroidal estrogens (nongenotoxic & genotoxic)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["367-25-9","2,4-difluoroaniline;benzenamine, 2,4-difluoro-;367-25-9","c1(N)c(F)cc(F)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"Primary aromatic amine, hydroxyl amine and its derived esters",1,null,0]
["393-77-1","4-hydroxy-3,5-dinitrobenzotrifluoride;p-cresol, alpha,alpha,alpha-trifluoro-2,6-dinitro-","C(F)(F)(F)c1cc(N(=O)=O)c(O)c(N(=O)=O)c1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic",1,null,0]
["421-70-5","1-bromo-1,1,2,2-tetrafluoro-2-iodoethane;1-bromotetrafluoro-2-iodoethane","C(F)(F)(I)C(F)(F)Br","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation >> Vicinal Dihaloalkanes",1,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["461-58-5","cyanoguanidine;2-cyanoguanidine;guanidine, cyano-","C(#N)N=C(N)N","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["469-83-0","cafestol;5a,8-methano-5ah-cyclohepta(5,6)naphtho(2,1-b)furan-7-methanol, 3b,4,5,6,7,8,9,10,10a,10b,11,12-dodecahydro-7-hydroxy-10b-methyl-, (3bs-(3balpha,5abeta,7beta,8beta,10aalpha,10bbeta))-","C12=C(C3C(C)(C4C5(CC(O)(CO)C(CC4)C5)CC3)CC1)C=CO2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Inconclusive","CCRIS database,Toxnet databases","TM 677","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation of Heterocyclic Ring Systems|Michael addition >> P450 Mediated Activation of Heterocyclic Ring Systems >> Furans",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["476-71-1","domesticine;domestici","c12-c3c(O)c(OC)cc4c3C(Cc1cc1c(c2)OCO1)N(C)CC4","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Inconclusive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Alkyl phenols|SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"1,3-Benzodioxoles (Nongenotox)|o-phenylphenol (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["478-43-3","rhein;9,10-dihydro-4,5-dihydroxy-9,10-dioxoanthracene-2-carboxylic acid;4,5-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid;2-anthroic acid, 9,10-dihydro-4,5-dihydroxy-9,10-dioxo- (8ci)","c12C(=O)c3c(C(=O)c1c(O)cc(C(=O)O)c2)c(O)ccc3","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones",1,"No alert found",0,"Quinones (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones",1,"Quinones",1,"H-acceptor-path3-H-acceptor|Quinones",1,null,0]
["481-42-5","plumbagin;1,4-naphthalenedione, 5-hydroxy-2-methyl-;1,4-naphthoquinone, 5-hydroxy-2-methyl-;5-hydroxy-2-methyl-1,4-naphthoquinone;5-hydroxy-2-methylnaphthalene-1,4-dione;5-hydroxy-2-methyl-1,4-naphthalenedione;1,4-naphthalenedione, 5-hydroxy-2-methyl- (9ci)","C1(C)C(=O)c2c(C(=O)C=1)c(O)ccc2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated ketones|Michael addition >> Quinones and Quinone-type Chemicals|Michael addition >> Quinones and Quinone-type Chemicals >> Quinones",1,"Quinones (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Quinones",1,"H-acceptor-path3-H-acceptor|Quinones",1,null,0]
["482-27-9","isopimpinellin;7h-furo(3,2-g)(1)benzopyran-7-one, 4,9-dimethoxy- (8ci)(9ci)","c1(OC)c2c(c(OC)c3c1C=CC(=O)O3)OC=C2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Inconclusive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Generation of reactive oxygen species|Radical >> Generation of reactive oxygen species >> Coumarins|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Coumarins",1,"SN2|SN2 >> P450 Mediated Epoxidation|SN2 >> P450 Mediated Epoxidation >> Coumarins",1,"Coumarins and Furocoumarins (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Coumarins and Furocoumarins",1,"1,3-dialkoxy-benzene|Coumarins and Furocoumarins|H-acceptor-path3-H-acceptor",1,null,0]
["486-25-9","9-fluorenone;fluorenone;9h-fluoren-9-one;fluoren-9-one","c12C(=O)c3c(-c1cccc2)cccc3","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1,null,0]
["490-46-0","(-)-epicatechin;(2r,3r)-2-(3,4-dihydroxy-phenyl)-chroman-3,5,7-triol;l-epicatechin;2h-1-benzopyran-3,5,7-triol, 2-(3,4-dihydroxyphe;2-(3,4-dihydroxyphenyl)-2,3,4-trihydro-3,5,7-trihydroxychromene;2-(3,4-dihydroxyphenyl)-3,4-dihydro-2h-chromene-3,5,7-triol","c1(O)c2c(cc(O)c1)OC(c1cc(O)c(O)cc1)C(O)C2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Inconclusive","CCRIS database,Toxnet databases","TA 102","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Alkyl phenols|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["492-27-3","kynurenic acid","C1(=O)c2c(cccc2)NC(C(=O)O)=C1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","Without S9","Inconclusive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"alpha,beta-unsaturated carbonyls",1,"alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor",1,null,0]
["501-32-6","d,l-isohistidine",null,"Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","NO","Romualdo Benigni","Without S9","Inconclusive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","(N/A)",1,"(N/A)",1,"(N/A)",1,"(N/A)",1,"(N/A)",1,"(N/A)",1,null,0]
["505-70-4","muconic acid;2,4-hexadienedioic acid,;hexa-2,4-dienedioic acid","C(=O)(O)C=CC=CC(=O)O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["507-55-1","1,3-dichloro-1,1,1,2,3-pentafluoropropane;1,3-dichloro-1,2,2,3,3-pentafluoropropane;1,3-dichloro-1,1,2,2,3-pentafluoropropane;propane, 1,3-dichloro-1,1,2,2,3-pentafluoro-","C(F)(F)(Cl)C(F)(F)C(F)Cl","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Acylation|Acylation >> P450 Mediated Activation to Acyl Halides|Acylation >> P450 Mediated Activation to Acyl Halides >> 1,1-Dihaloalkanes",1,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aliphatic halogens",1,"Aliphatic halogen",1,null,0]
["516-06-3","valine;(s)-2-amino-3-methyl-butyric acid;dl-valine","C(=O)(O)C(N)C(C)C","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Inconclusive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["518-34-3","tetrandrine;berbaman, 6,6',7,12-tetramethoxy-2,2'-dimethyl-, (1beta)-","c1(OC)c(OC)c2c3c(c1)CCN(C)C3Cc1cc(c(OC)cc1)Oc1ccc(cc1)CC1c3c(cc(OC)c(c3)O2)CCN1C","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"No alert found",0,"No alert found",0,"No alert found",0,"1-phenoxy-benzene|H-acceptor-path3-H-acceptor",1,null,0]
["525-03-1","9-aminofluorene","c12-c3c(C(N)c1cccc2)cccc3","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Inconclusive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Acylation|Acylation >> P450 Mediated Activation to Isocyanates or Isothiocyanates|Acylation >> P450 Mediated Activation to Isocyanates or Isothiocyanates >> Benzylamines-Acylation",1,"Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1,null,0]
["527-85-5","2-methylbenzamide;o-toluamide;benzamide, 2-methyl-","C(N)(=O)c1c(C)cccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["531-75-9","esculin;aesculin;2h-1-benzopyran-2-one, 6-(?-d-glucopyranosyloxy)-7-hydroxy-;2h-1-benzopyran-2-one, 6-(.beta.-d-glucopyranosyloxy)-7-hydroxy-;7-hydroxy-2-oxo-2h-chromen-6-yl beta-d-glucopyranoside","c12c(C=CC(=O)O1)cc(OC1C(O)C(O)C(O)C(CO)O1)c(O)c2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 94","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Generation of reactive oxygen species|Radical >> Generation of reactive oxygen species >> Coumarins|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Coumarins",1,"SN2|SN2 >> P450 Mediated Epoxidation|SN2 >> P450 Mediated Epoxidation >> Coumarins",1,"Coumarins and Furocoumarins (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Generation of reactive oxygen species|Radical >> Generation of reactive oxygen species >> Coumarins|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Coumarins",1,"Coumarins and Furocoumarins",1,"Coumarins and Furocoumarins|H-acceptor-path3-H-acceptor",1,null,0]
["539-21-9","ambazone","c1(NN=C(N)N)ccc(N=NC(N)=S)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic azo",1,"Hydrazine (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity|Thiocarbonyl (Nongenotox)",1,"No alert found",0,"Hydrazine",1,"H-acceptor-path3-H-acceptor|Hydrazine",1,null,0]
["546-80-5","alpha-thujone;thujone;bicyclo[3.1.0]hexan-3-one, 4-methyl-1-(1-methylethyl)-, [1s-(1a,4a,5a)]-;bicyclo 3.1.0 hexan-3-one, 4-methyl-1-(1-methylethyl)-, 1s-(1.alpha.,4.alpha.,5.alpha.) -;3-thujanone, (1s,4r,5r)-(-);1-isopropyl-4-methylbicyclo[3.1.0]hexan-3-one;bicyclo[3.1.0]hexan-3-one, 4-methyl-1-(1-methylethyl)-, [1s-(1?,4?,5?)]-;bicyclo[3.1.0]hexan-3-one, 4-methyl-1-(1-methylethyl)-, (1s,4r,5r)-;4-methyl-1-(propan-2-yl)bicyclo[3.1.0]hexan-3-one;bicyclo[3.1.0]hexan-3-one, 4-methyl-1-(1-methylethyl)-, [1s-(1.alpha.,4.alpha.,5.alpha.)]-;(1s,4r,5r)-4-methyl-1-(1-methylethyl)bicyclo[3.1.0]hexan-3-one;bicyclo(3.1.0)hexan-3-one, 4-methyl-1-(1-methylethyl)-, (1s,4r,5r)-;546-80-5;3-thujanone;(1<i>s</i>,4<i>r</i>,5<i>r</i>)-form","C1(=O)C(C)C2C(C(C)C)(C2)C1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["548-62-9","gentian violet","c1(C{+}(.Cl{-})(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)ccc(N(C)C)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","With S9","Equivocal","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine",1,"Aromatic mono-and dialkylamine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aromatic mono-and dialkylamine",1,"Aromatic mono- and dialkylamine",1,null,0]
["557-11-9","allylurea;urea, 2-propenyl-;allyl urea;1-prop-2-en-1-ylurea;2-propenylurea;urea, n-2-propen-1-yl-","C(N)(=O)NCC=C","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Equivocal","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["565-20-8","n-acetyl-4,4-diaminodiphenylsulfone;acetamide, n-[4-[(4-aminophenyl)sulfonyl]phenyl];acetamide, n-(4-((4-aminophenyl)sulfonyl)phenyl)- (9ci)","c1(S(=O)(=O)c2ccc(N)cc2)ccc(NC(C)=O)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Moderate Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Aromatic N-acyl amine (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Aromatic N-acyl amine|Primary aromatic amine,hydroxyl amine and its derived esters",1,"Aromatic N-acyl amine|H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters",1,null,0]
["569-77-7","purpurogallin","C12C(C(O)=C(O)C(O)=C1)=C(O)C(=O)C=CC=2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Inconclusive","CCRIS database,Toxnet databases","TA 2638","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated ketones",1,"alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"alpha,beta-unsaturated carbonyls",1,"alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor",1,null,0]
["577-59-3","o-nitroacetophenone;2-nitroacetophenone;2'-nitroacetophenone;ethanone, 1-(2-nitrophenyl)-;1-(2-nitrophenyl)ethanone;577-59-3","C(C)(=O)c1c(N(=O)=O)cccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic",1,null,0]
["579-07-7","1-phenyl-1,2-propanedione;1,2-propanedione, 1-phenyl-;1-phenylpropane-1,2-dione","C(C)(=O)C(=O)c1ccccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","Without S9","Inconclusive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Schiff base fomers >> Direct acting Schiff base formers >> Dicarbonyl Compounds",1,"Schiff base formers|Schiff base formers >> Direct Acting Schiff Base Formers|Schiff base formers >> Direct Acting Schiff Base Formers >> Alpha-beta-dicarbonyl",1,"No alert found",0,"Schiff base fomers >> Direct acting Schiff base formers >> Dicarbonyl Compounds",1,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["585-07-9","tert-butyl methacrylate;2-propenoic acid, 2-methyl-, 1,1-dimethylethyl ester;t-butyl methacrylate;tert- butylmethacrylate;tert-butyl 2-methylprop-2-enoate","C(=O)(C(=C)C)OC(C)(C)C","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated esters",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["591-12-8","alpha-angelica lactone;2(3h)-furanone, 5-methyl-;5-methyl-3h-furan-2-one;5-methylfuran-2(3h)-one;5-methyl-2(3h)-furanone","C1(C)=CCC(=O)O1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["593-56-6","o-methylhydroxylamine hydrochloride","Cl{-}_CON_R","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["599-07-5","medicagenic acid;2-beta,3-beta-dihydroxyolean-12-ene-23,28-dioic acid","C12(C)C3(C)C(C4C(C(=O)O)(CCC(C)(C)C4)CC3)=CCC1C1(C)C(C(C)(C(=O)O)C(O)C(O)C1)CC2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["604-35-3","3beta-acetoxycholest-5-ene;acetic acid 17-(1,5-dimethyl-hexyl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-3-yl ester\"\"\";cholest-5-en-3-?-yl acetate;cholest-5-en-3-ol (3?)-, acetate;cholest-5-en-3-ol (3.beta.)-, acetate;(3beta)-cholest-5-en-3-yl acetate;cholest-5-en-3-ol, acetate, (3.beta.)-;cholesterol, acetate (8ci)","C12C(C)(C3C(C4C(C)(C(C(C)CCCC(C)C)CC4)CC3)CC=1)CCC(OC(C)=O)C2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Inconclusive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Specific Acetate Esters|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Specific Acetate Esters|SN2|SN2 >> Acylating agents|SN2 >> Acylating agents >> Specific Acetate Esters|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Specific Acetate Esters",1,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["610-28-6","2,5-dinitrobenzoic acid;2,5-dinitro-benzoic acid;benzoic acid, 2,5-dinitro-","C(=O)(O)c1c(N(=O)=O)ccc(N(=O)=O)c1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"No alert found",0,"No alert found",0,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["612-41-9","2-nitrocinnamic acid;o-nitrocinnamic acid;cinnamic acid, o-nitro- (6ci,7ci,8ci);0-nitro-cinnamic acid;(2e)-3-(2-nitrophenyl)prop-2-enoic acid;2-propenoic acid, 3-(2-nitrophenyl)-","c1(N(=O)=O)c(C=CC(=O)O)cccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic",1,null,0]
["612-82-8","3,3'-dimethylbenzidine dihydrochloride","c1(-c2cc(C)c(N)cc2)cc(C)c(N)cc1_Cl{-}_Cl{-}_R_R","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"No alert found|SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"Primary aromatic amine, hydroxyl amine and its derived esters",1,null,0]
["617-35-6","ethyl pyruvate;propanoic acid, 2-oxo-, ethyl ester;pyruvic acid, ethyl ester;ethyl 2-oxopropanoate;pyruvic acid, ethyl ester (8ci)","C(=O)(C(C)=O)OCC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["621-52-3","m-nitrophenetole;3-ethoxynitrobenzene;3-nitrophenetole;benzene, 1-ethoxy-3-nitro-;1-ethoxy-3-nitrobenzene;phenetole, m-nitro- (8ci)","c1(OCC)cc(N(=O)=O)ccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Nitro-aromatic",1,"Nitro-aromatic",1,null,0]
["623-24-5","alpha,alpha'-dibromo-p-xylene;benzene, 1,4-bis(bromomethyl)-;±,±'-dibromo-p-xylene;?,?'-dibromo-p-xylene;1,4-bis(bromomethyl)benzene;p-xylene, alpha,alpha'-dibromo- (8ci)","c1(CBr)ccc(CBr)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","Without S9","Inconclusive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes|SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides",1,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups",1,"Aliphatic halogens",1,"Aliphatic halogen",1,null,0]
["632-79-1","tetrabromophthalic anhydride;4,5,6,7-tetrabromo-1,3-isobenzofurandione;1,3-isobenzofurandione, 4,5,6,7-tetrabromo-;phthalic anhydride, tetrabromo-;4,5,6,7-tetrabromo-2-benzofuran-1,3-dione","C1(=O)c2c(C(=O)O1)c(Br)c(Br)c(Br)c2Br","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["637-96-7","sarcosine hydrochloride","C(=O)(O)CNC_Cl{-}_R","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","With S9","Inconclusive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["643-22-1","erythromycin stearate;erytromycin stearate","C1(C)(O)C(O)C(C)C(=O)C(C)CC(C)(O)C(OC2C(O)C(N{+}(C)(C).O{-}C(=O)CCCCCCCCCCCCCCCCC)CC(C)O2)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(=O)OC1CC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["659-70-1","isoamyl isovalerate;3-methylbutyl isovalerate;butanoic acid, 3-methyl-, 3-methylbutyl ester;3-methylbutyl 3-methylbutanoate","C(=O)(CC(C)C)OCCC(C)C","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Inconclusive","CCRIS database,Toxnet databases","TA 102","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["673-06-3","d-phenylalanine","C(=O)(O)C(N)Cc1ccccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["699-18-3","2-(2-nitrovinyl)furan;2-(b-nitrovinyl)furan;2-(2-nitrovinyl)-furan;furan, 2-(2-nitroethenyl)- (9ci)","C1(C=CN(=O)=O)=CC=CO1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Moderate Quality","NO","Romualdo Benigni","Without S9","Inconclusive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Michael addition|Michael addition >> P450 Mediated Activation of Heterocyclic Ring Systems|Michael addition >> P450 Mediated Activation of Heterocyclic Ring Systems >> Furans",1,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["749-49-5","quinine lactate","c12c(c(C(O)C3CC4C(C=C)CN3CC4)ccn1)cc(OC)cc2_C(=O)(O)C(C)O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found|SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["764-42-1","fumaric acid;fumaronitrile;2-butenedinitrile, (e)-;2-butenedinitrile, (2e)-;(2e)-but-2-enedinitrile;2-butenedinitrile, (e)- (9ci);dinitrile","C(#N)C=CC#N","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["814-78-8","3-methyl-3-butene-2-one;3-buten-2-one, 3-methyl-;3-methylbut-3-en-2-one","C(C)(=O)C(=C)C","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated ketones",1,"alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"alpha,beta-unsaturated carbonyls",1,"alpha,beta-unsaturated carbonyls",1,null,0]
["824-94-2","p-methoxybenzyl chloride;4-methoxybenzyl chloride;p-(chloromethyl)anisole;1-(chloromethyl)-4-methoxybenzene;benzene, 1-(chloromethyl)-4-methoxy- (9ci)","c1(OC)ccc(CCl)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","Without S9","Inconclusive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups",1,"SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides",1,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups",1,"Aliphatic halogens",1,"Aliphatic halogen",1,null,0]
["842-19-3","7-hydroxynaphthalene-1,3-disulfonic acid, disodium salt;disodium 7-hydroxynaphthalene-1,3-disulphonate;1,3-naphthalenedisulfonic acid, 7-hydroxy-, disodium salt;disodium 7-hydroxynaphthalene-1,3-disulfonate;7-hydroxy-1,3-naphthalenedisulfonic acid, disodium salt","c1(S(=O)(=O)O{-}.[Na]{+})c2c(cc(S(=O)(=O)O{-}.[Na]{+})c1)ccc(O)c2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["866-84-2","tripotassium citrate;potassium citrate;1,2,3-propanetricarboxylic acid, 2-hydroxy-, tripotassium salt;citric acid, tripotassium salt;potassium citrate anhydrous;tripotassium 2-hydroxypropane-1,2,3-tricarboxylate;2-hydroxy-1,2,3-propanetricarboxylic acid, tripotassium salt","C(=O)(C(O)(CC(=O)O{-}.K{+})CC(=O)O{-}.K{+})O{-}.K{+}","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Inconclusive","CCRIS database,Toxnet databases","TA 102","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["868-18-8","sodium l-tartrate;butanedioic acid, 2,3-dihydroxy- (2r,3r)-, sodium salt (1:2);sodium tartrate;disodium tartrate;butanedioic acid, 2,3-dihydroxy- (2r,3r)-, disodium salt;disodium 2,3-dihydroxybutanedioate;butanedioic acid, 2,3-dihydroxy- [r-(r*,r*)]-, disodium salt","C(=O)(C(O)C(O)C(=O)O{-}.[Na]{+})O{-}.[Na]{+}","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Inconclusive","CCRIS database,Toxnet databases","TA 102","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["920-37-6","2-chloroacrylonitrile;2-chlortoacryonitrile;2-propenenitrile, 2-chloro-;acrylonitrile, 2-chloro-;2-chloroprop-2-enenitrile","C(#N)C(=C)Cl","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Inconclusive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Acylation|Acylation >> Acyl transfer via nucleophilic addition reaction|Acylation >> Acyl transfer via nucleophilic addition reaction >> Haloalkenes with Electron-Withdrawing Groups|SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Haloalkenes with Electron-Withdrawing Groups|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Haloalkenes with Electron-Withdrawing Groups|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives",1,"No alert found",0,"No alert found",0,"Acylation|Acylation >> Acyl transfer via nucleophilic addition reaction|Acylation >> Acyl transfer via nucleophilic addition reaction >> Haloalkenes with Electron-Withdrawing Groups|SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Haloalkenes with Electron-Withdrawing Groups|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Haloalkenes with Electron-Withdrawing Groups|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives",1,"No alert found",0,"No alert found",0,null,0]
["934-32-7","2-aminobenzimidazole;1h-benzoimidazol-2-ylamine;benzimidazol-2-ylamine;1h-benzimidazol-2-amine;benzimidazole, 2-amino-","c12c(cccc1)N=C(N)N2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary (unsaturated) heterocyclic amine",1,"Imidazole, benzimidazole (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["943-93-1","1,2-epoxy-5,9-cyclododecadiene;13-oxabicyclo[10.1.0]trideca-4,8-diene;(4z,8z)-13-oxabicyclo[10.1.0]trideca-4,8-diene;13-oxabicyclo(10.1.0)trideca-4,8-diene","C12C(CCC=CCCC=CCC1)O2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Inconclusive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides",1,"Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Epoxides and aziridines",1,"Epoxides and aziridines",1,null,0]
["959-23-9","4'-methoxychalcone;±-styryl p-anisyl ketone;?-styryl p-anisyl ketone;(2e)-1-(4-methoxyphenyl)-3-phenylprop-2-en-1-one;2-propen-1-one, 1-(4-methoxyphenyl)-3-phenyl-","c1(C(=O)C=Cc2ccccc2)ccc(OC)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Alkylbenzenes (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["989-51-5","(-)-epigallocatechin gallate;(-)-epigallocatechin gallate (85% (-)-epigallocatechin gallate, 10% (-)-epigallocatechin, 5% (-)- epicatechin gallate);epigallocatechin gallate;benzoic acid, 3,4,5-trihydroxy-, (2r,3r)-3,4-dihydro-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-2h-1-benzopyran-3-yl ester;epigallocatechin 3-gallate (egcg);3,4,5-trihydroxybenzoic acid (2r,3r)-3,4-dihydro-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-2h-1-benzopyran-3-yl ester;unnamed [479-560-7]","C(=O)(c1cc(O)c(O)c(O)c1)OC1C(c2cc(O)c(O)c(O)c2)Oc2c(c(O)cc(O)c2)C1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Inconclusive","CCRIS database,Toxnet databases","TA 102","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Alkyl phenols|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["1024-41-5","benzyl tosylate","c1(S(=O)(=O)OCc2ccccc2)ccc(C)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Inconclusive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Sulfonates and Sulfates",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid (Genotox)|Benzenesulfonic ethers, methylation (Nongenotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Sulfonates and Sulfates",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid|H-acceptor-path3-H-acceptor",1,null,0]
["1066-45-1","trimethyltin chloride","C[Sn](C)(C)Cl","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Inconclusive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["1069-55-2","isobutyl 2-cyanoacrylate;bucrylate;bucrilate;2-propenoic acid, 2-cyano-, 2-methylpropyl ester;2-methylpropyl 2-cyanoprop-2-enoate","C(=O)(C(=C)C#N)OCC(C)C","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Inconclusive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated esters",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["1116-40-1","triisobutylamine;1-propanamine, 2-methyl-n,n-bis(2-methylpropyl)-;tri-isobutylamine;2-methyl-n,n-bis(2-methylpropyl)propan-1-amine","C(C)(C)CN(CC(C)C)CC(C)C","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["1135-99-5","diphenyltin dichloride;dichlorodiphenylstannane;dichloro(diphenyl)stannane;stannane, dichlorodiphenyl-","c1([Sn](Cl)(Cl)c2ccccc2)ccccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","Without S9","Inconclusive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["1152-48-3","4'-nitrochalcone;2-propen-1-one, 1-(4-nitrophenyl)-3-phenyl- (9ci)","c1(C(=O)C=Cc2ccccc2)ccc(N(=O)=O)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Equivocal","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Alkylbenzenes (Genotox)|Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"Nitro-aromatic",1,null,0]
["1187-84-4","s-methyl-l-cysteine;(r)-2-amino-3-methylsulfanyl-propionic acid;l-cysteine, s-methyl-;l-cysteine, s-methyl- (9ci)","C(=O)(O)C(N)CSC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["1214-39-7","benzyladenine;1h-purin-6-amine, n-(phenylmethyl)-;n6-benzuladenine","c1(NCc2ccccc2)c2c(N=CN2)ncn1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes",1,"Imidazole, benzimidazole (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["1271-19-8","titanocene dichloride","C12C3C4C5C1[Ti]2345C1CCCC1_Cl_Cl","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["1305-78-8","calcium oxide;calcium oxide (cao);calcium oxide, (cao);oxocalcium","O=[Ca]","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Inconclusive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["1309-37-1","iron(iii) oxide;ferric oxide","O_O{2-}1.[Fe]{3+}2.O{2-}.[Fe]{3+}.1.O{2-}.2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","With S9","Inconclusive","CCRIS database,Toxnet databases","TA 102","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["1314-13-2","zinc oxide (zno);zinc oxide;zinc oxide, (zno);oxozinc","O=[Zn]","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["1330-78-5","tricresyl phosphate;tris(methylphenyl) phosphate;tris(4-methylphenyl) phosphate","c1(OP(=O)(Oc2ccc(C)cc2)Oc2ccc(C)cc2)ccc(C)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality, Conflict","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["1338-02-9","naphthenic acid, copper salt;copper naphthenate;naphthenic acids, copper salts","C(=O)(CCC1CC(CC)CC1)O{-}.[Cu]{2+}.O{-}C(=O)CCC1CC(CC)CC1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Metals, oxidative stress (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["1415-93-6","humic acids;humic acids, commercial grade",null,"Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","(N/A)",1,"(N/A)",1,"(N/A)",1,"(N/A)",1,"(N/A)",1,"(N/A)",1,null,0]
["1421-85-8","dibenz[a,h]anthracene 5,6-epoxide;dibenz(a,h)anthracene, 5,6-epoxy-5,6-dihydro-","c12-c3c(C4C(c1cc1c5c(ccc1c2)cccc5)O4)cccc3","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1|SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides",1,"Epoxides and aziridines (Genotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Epoxides and aziridines|Polycyclic Aromatic Hydrocarbons",1,"Epoxides and aziridines|Polycyclic Aromatic Hydrocarbons",1,null,0]
["1551-44-6","cyclohexyl butyrate;butanoic acid, cyclohexyl ester;butyric acid, cyclohexyl ester;cyclohexyl butanoate","C(=O)(CCC)OC1CCCCC1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Inconclusive","CCRIS database,Toxnet databases","TA 102","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["1608-51-1","4-fluorochalcone;2-propen-1-one, 3-(4-fluorophenyl)-1-phenyl- (9ci)","c1(C(=O)C=Cc2ccc(F)cc2)ccccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Alkylbenzenes (Genotox)|Halogenated benzene (Nongenotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["1615-02-7","p-chlorocinnamic acid;cinnamic acid, p-chloro-;p-chloro-trans-cinnamic acid;3-(4-chlorophenyl)acrylic acid;2-propenoic acid, 3-(4-chlorophenyl)-;4-chloro-trans-cinnamic acid;2-propenoic acid, 3-(4-chlorophenyl)- (9ci)","C(=O)(O)C=Cc1ccc(Cl)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Inconclusive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["1666-13-3","diphenyldiselenide;diselenide, diphenyl;diphenyl diselenide;diphenyldiselane","c1([Se][Se]c2ccccc2)ccccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 102","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["1705-85-7","6-methylchrysene;chrysene, 6-methyl-","c1(C)c2c(c3c(c4c(cccc4)cc3)c1)cccc2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Inconclusive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1",1,"Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1,null,0]
["1728-32-1","1-methoxy-1,3,5-cycloheptatriene;1,3,5-cycloheptatriene, 1-methoxy-;ether, 1,3,5-cycloheptatrien-1-yl methyl (7ci,8ci)","C1(OC)=CC=CC=CC1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Moderate Quality","NO","Romualdo Benigni","With S9","Equivocal","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["1806-54-8","tris(2-ethylhexyl) phosphate;tri-n-octyl phosphate;trioctyl phosphate;phosphoric acid, trioctyl ester","C(CCCCCCC)OP(=O)(OCCCCCCCC)OCCCCCCCC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"No alert found",0,"No alert found",0,"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["1822-51-1","4-chloromethylpyridine hydrochloride","c1(CCl)ccncc1_Cl{-}_R","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 102","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found|Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups",1,"No alert found|SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides",1,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found|Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups",1,"Aliphatic halogens",1,"Aliphatic halogen",1,null,0]
["1904-98-9","2,6-diaminopurine","c1(N)c2c(N=CN2)nc(N)n1_O=S(=O)(O)O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","Without S9","Inconclusive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"No alert found",0,"Imidazole, benzimidazole (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["1953-54-4","5-hydroxyindole;1h-indol-5-ol;1h-indol-5-ol (9ci)","c12c(C=CN1)cc(O)cc2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","Without S9","Inconclusive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> 5-alkoxyindoles",1,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["2004-70-8","trans-piperylene;1,3-pentadiene (e);trans-1,3-pentadiene;trans-penta-1,3-diene;1,3-pentadiene, (e)-;1,3-pentadiene, (3e)-;(3e)-penta-1,3-diene;(3e)-1,3-pentadiene","C(=C)C=CC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["2051-10-07","chrysene-5,6-quinone","c12C(=O)C(=O)c3c4c(ccc3-c1cccc2)cccc4","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Inconclusive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Schiff base formers|Schiff base formers >> Direct Acting Schiff Base Formers|Schiff base formers >> Direct Acting Schiff Base Formers >> Alpha-beta-dicarbonyl",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["2118-39-0","c.i. food black 2","C1(S(=O)(=O)O{-}.[Na]{+})C(=NNc2c3c(c(N=Nc4ccc(S(=O)(=O)O{-}.[Na]{+})cc4)cc2)ccc(S(=O)O{-}.[Na]{+})c3)C(=O)c2c(cc(S(=O)(=O)O{-}.[Na]{+})c(N)c2)C=1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Specific Imine and Thione Derivatives|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN2|SN2 >> Diazonium ion formation|SN2 >> Diazonium ion formation >> Specific Imine and Thione Derivatives",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic azo|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Specific Imine and Thione Derivatives|SN2|SN2 >> Diazonium ion formation|SN2 >> Diazonium ion formation >> Specific Imine and Thione Derivatives",1,"Hydrazine",1,"H-acceptor-path3-H-acceptor|Hydrazine",1,null,0]
["2154-67-8","3-carboxy-2,5-dihydro-2,2,5,5-tetramethyl-1h-pyrrol-1-yloxy;1h-pyrrol-1-yloxy, 3-carboxy-2,5-dihydro-2,2,5,5-tetramethyl-;(3-carboxy-2,2,5,5-tetramethyl-2,5-dihydro-1h-pyrrol-1-yl)oxidanyl","C(=O)(O)C1C(C)(C)N(O)C(C)(C)C=1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","Without S9","Inconclusive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> N-hydroxylamines",1,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["2206-89-5","2-chloroethyl acrylate;acrylic acid, 2-chloroethyl ester;2-chloroethyl prop-2-enoate;2-propenoic acid, 2-chloroethyl ester (9ci);2206-89-5","C(=O)(C=C)OCCCl","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Heteroatom",1,"Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated esters|SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides",1,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aliphatic halogens",1,"Aliphatic halogen|H-acceptor-path3-H-acceptor",1,null,0]
["2243-61-0","1,4-naphthalenediamine;1,4-diaminonaphthalene;naphthalene-1,4-diamine","c1(N)c2c(c(N)cc1)cccc2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Equivocal","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"Primary aromatic amine, hydroxyl amine and its derived esters",1,null,0]
["2304-85-0","1,8-pyrenequinone;pyrene-1,8-dione;1,8-pyrenedione","C1(=O)c2c3c4c(C(=O)C=Cc4ccc3C=C1)cc2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["2400-17-1","3-(methylamino)-2,1-benzisothiazole;ccris 8333","C12C(=C(NC)SN=1)C=CC=C2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Secondary (unsaturated) heterocyclic amine",1,"Aromatic mono-and dialkylamine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aromatic mono-and dialkylamine",1,"Aromatic mono- and dialkylamine|H-acceptor-path3-H-acceptor",1,null,0]
["2403-27-2","4'-bromochalcone;2-propen-1-one, 1-(4-bromophenyl)-3-phenyl-","c1(C(=O)C=Cc2ccccc2)ccc(Br)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Alkylbenzenes (Genotox)|Halogenated benzene (Nongenotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["2437-56-1","1-tridecene;tridec-1-ene","C(=C)CCCCCCCCCCC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["2481-94-9","4-(diethylamino)azobenzene;c.i. solvent yellow 56;benzenamine, n,n-diethyl-4-(phenylazo)-;n,n-diethyl-p-(phenylazo)aniline;n,n-diethyl-4-(phenyldiazenyl)aniline;c.i. solvent yellow 56 (8ci)","c1(N=Nc2ccccc2)ccc(N(CC)CC)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Inconclusive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic azo|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine",1,"Aromatic diazo (Genotox)|Aromatic mono-and dialkylamine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aromatic diazo|Aromatic mono-and dialkylamine",1,"Aromatic diazo|Aromatic mono- and dialkylamine|H-acceptor-path3-H-acceptor",1,null,0]
["2491-06-07","n,n-dimethylglycine hydrochloride","C(=O)(O)CN(C)C_Cl{-}_R","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","With S9","Inconclusive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found|SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["2564-83-2","2,2,6,6-tetramethyl-1-piperidinyloxy;1-piperidinyloxy, 2,2,6,6-tetramethyl-;2,2,6,6-tetramethylpiperidinooxy;(2,2,6,6-tetramethylpiperidin-1-yl)oxidanyl","C1(C)(C)CCCC(C)(C)N1O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","Without S9","Inconclusive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> N-hydroxylamines",1,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["2598-29-0","8-quinolinol acetate;acetic acid quinolin-8-yl ester;8-acetyloxyquinoline;8-quinolyl acetate;quinolin-8-yl acetate;8-quinolinol, acetate (ester)","c1(OC(C)=O)c2c(cccn2)ccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Inconclusive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Specific Acetate Esters|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Specific Acetate Esters|SN2|SN2 >> Acylating agents|SN2 >> Acylating agents >> Specific Acetate Esters|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Specific Acetate Esters",1,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["2675-77-6","chloroneb;1,4-dichloro-2,5-dimethoxybenzene;benzene, 1,4-dichloro-2,5-dimethoxy-;2675-77-6","c1(Cl)c(OC)cc(Cl)c(OC)c1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones",1,"Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["2783-94-0","c.i. food yellow 3;disodium 6-hydroxy-5-[(4-sulphonatophenyl)azo]naphthalene-2-sulphonate;2-naphthalenesulfonic acid, 6-hydroxy-5-[(4-sulfophenyl)azo]-, disodium salt;sunset yellow","C1(=O)C(=NNc2ccc(S(=O)(=O)O{-}.[Na]{+})cc2)c2c(C=C1)cc(S(=O)(=O)O{-}.[Na]{+})cc2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Hydrazine",1,"H-acceptor-path3-H-acceptor|Hydrazine",1,null,0]
["2798-25-6","bellidifolin;9h-xanthen-9-one, 1,5,8-trihydroxy-3-methoxy- (9ci)","c12C(=O)c3c(c(O)ccc3O)Oc1cc(OC)cc2O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones",1,"No alert found",0,"No alert found",0,"No alert found",0,"1-phenoxy-benzene|H-acceptor-path3-H-acceptor",1,null,0]
["2855-13-2","isophoronediamine","c1(S(=O)(=O)O)ccc(C)cc1_C1(C)(C)CC(C)(CN)CC(N)C1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Benzenesulfonic ethers, methylation (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["2902-96-7","2-nitro-1-propanol;2-nitropropan-1-ol","C(C)(CO)N(=O)=O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["2922-54-5","monosodium succinate;sodium hydrogen succinate;butanedioic acid, monosodium salt;sodium hydrogen butanedioate","C(=O)(O)CCC(=O)O{-}.[Na]{+}","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Inconclusive","CCRIS database,Toxnet databases","TA 102","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["2998-23-4","pentyl acrylate;n-pentylacrylate;2-propenoic acid, pentyl ester;pentyl prop-2-enoate;n-pentyl acrylate","C(=O)(C=C)OCCCCC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated esters",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["3032-55-1","trimethylolethane trinitrate;2-methyl-2-[(nitrooxy)methyl]propane-1,3-diyl dinitrate;1,3-propanediol, 2-methyl-2-[(nitrooxy)methyl]-, dinitrate (ester);1,3-propanediol, 2-methyl-2- (nitrooxy)methyl -, dinitrate (ester);1,3-propanediol, 2-(hydroxymethyl)-2-methyl-, trinitrate;1,3-propanediol, 2-methyl-2-Х(nitrooxy)methylе-, dinitrate (ester);2-methyl-3-(nitrooxy)-2-[(nitrooxy)methyl]propyl nitrate (non-preferred name);1,3-propanediol, 2-methyl-2-((nitrooxy)methyl)-, dinitrate (ester)","C(C)(CON(=O)=O)(CON(=O)=O)CON(=O)=O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical decomposition|Radical >> Radical decomposition >> Alkylnitrites|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Alkylnitrites|SN1|SN1 >> Nitrosation|SN1 >> Nitrosation >> Alkylnitrites",1,"No alert found",0,"No alert found",0,"Radical|Radical >> Radical decomposition|Radical >> Radical decomposition >> Alkylnitrites|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Alkylnitrites|SN1|SN1 >> Nitrosation|SN1 >> Nitrosation >> Alkylnitrites",1,"No alert found",0,"No alert found",0,null,0]
["3087-16-9","brilliant acid green bs","c12c(O)c(c3c(cc(S(=O)(=O)O{-}.[Na]{+})cc3)c1)C{+}(c1ccc(N(C)C)cc1)(c1ccc(N(C)C)cc1).O{-}S2(=O)=O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["3208-16-0","2-ethylfuran;furan, 2-ethyl-","C1(CC)=CC=CO1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation of Heterocyclic Ring Systems|Michael addition >> P450 Mediated Activation of Heterocyclic Ring Systems >> Furans",1,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["3237-50-1","alloxan monohydrate;5,5-dihydroxyperhydropyrimidinetrione;5,5-dihydroxypyrimidine-2,4,6(1h,3h,5h)-trione;5,5-dihydroxybarbituric acid;2,4,6(1h,3h,5h)-pyrimidinetrione, 5,5-dihydroxy- (9ci)","C1(=O)C(O)(O)C(=O)NC(=O)N1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["3343-64-4","l-buthionine","HN{+}(H)C(C(=O)O{-})CCSCCCC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["3387-36-8","disodium 5'-uridylate;disodium uridine-5'-monophosphate;disodium 1-(5-o-phosphonatopentofuranosyl)pyrimidine-2,4(1h,3h)-dione","C1(=O)C=CN(C2C(O)C(O)C(COP(=O)(O{-}.[Na]{+})O{-}.[Na]{+})O2)C(=O)N1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Inconclusive","CCRIS database,Toxnet databases","TA 102","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives|SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"alpha,beta-unsaturated carbonyls",1,"alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor|Oxolane",1,null,0]
["3397-62-4","2-chloro-4,6-diamino-s-triazine;2-chloro-4,6-diamino-1,3,5-triazine;1,3,5-triazine-2,4-diamine, 6-chloro-;6-chloro-1,3,5-triazine-2,4-diamine;deisopropyldeethylatrazine;s-triazine, 2,4-diamino-6-chloro- (8ci)","c1(Cl)nc(N)nc(N)n1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","Without S9","Inconclusive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"No alert found",0,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"Primary aromatic amine, hydroxyl amine and its derived esters",1,null,0]
["3695-86-1","alpha-cyano-2-furanacrylic acid, methyl ester;2-propenoic acid, 2-cyano-3-(2-furanyl)-, methyl;2-furanacrylic acid, alpha-cyano-, methyl ester","C(=O)(C(C#N)=CC1=CC=CO1)OC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Moderate Quality","NO","Romualdo Benigni","Without S9","Inconclusive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation of Heterocyclic Ring Systems|Michael addition >> P450 Mediated Activation of Heterocyclic Ring Systems >> Furans|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated esters",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["3810-74-0","streptomycin;streptomycin sulfate (2:3);streptomycin sulfate;sulfate (2:3)","C1(O)(C=O)C(OC2C(NC)C(O)C(O)C(CO)O2)C(OC2C(O)C(O)C(N=C(N)N)C(O)C2N=C(N)N)OC1C_C1(O)(C=O)C(OC2C(NC)C(O)C(O)C(CO)O2)C(OC2C(O)C(O)C(N=C(N)N)C(O)C2N=C(N)N)OC1C_O=S(=O)(O)O_O=S(=O)(O)O_O=S(=O)(O)O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found|Schiff base formers|Schiff base formers >> Direct Acting Schiff Base Formers|Schiff base formers >> Direct Acting Schiff Base Formers >> Mono aldehydes",1,"Simple aldehyde (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Simple aldehyde",1,"H-acceptor-path3-H-acceptor|Oxolane|Simple aldehyde",1,null,0]
["4080-31-3","n-(3-chloroallyl)hexaminium chloride;n-(3-chlorallyl) hexaminium chloride;n-(3-chloroallyl) hexaminium chloride;1-(3-chloroallyl)-3,5,7-triaza-1-azoniaadamantane chloride [dowicil 200];1-(3-chloroallyl)-3,5,7-triaza-1-azoniaadamantane chloride;methenamine 3-chloroallylochloride;3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane, 1-(3-chloro-2-propenyl)-, chloride;quaternium-15;1-(3-chloro-2-propenyl)-3,5,7-triaza-1-azoniatricyclo[3.3.1.1 3,7]decane chloride;hexamethylenetetramine chloroallyl chloride;cis-ctac/trans-ctac (dowicil 75 formulation);dowicil","C(Cl)=CCN{+}12(.Cl{-})CN3CN(CN(C3)C1)C2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Equivocal","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"Monohaloalkene (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Monohaloalkene",1,"Monohaloalkene",1,null,0]
["4245-76-5","n-methyl-n'-nitroguanidine","C(N)(=NC)NN(=O)=O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Aliphatic N-nitro group (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aliphatic N-nitro group",1,"Aliphatic N-nitro group|H-acceptor-path3-H-acceptor",1,null,0]
["4335-09-05","c.i. direct green 6, disodium salt","C1(S(=O)(=O)O{-}.[Na]{+})C(=NNc2ccc(-c3ccc(NN=C4C=CC(=O)C=C4)cc3)cc2)C(=O)c2c(N)c(N=Nc3ccc(N(=O)=O)cc3)c(S(=O)(=O)O{-}.[Na]{+})cc2C=1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","With S9","Equivocal","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinoneimine Derivatives|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Radical >> Radical mechanism by ROS formation >> Specific Imine and Thione Derivatives|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|Radical >> ROS formation after GSH depletion >> Quinoneimine Derivatives|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> Diazonium ion formation|SN2 >> Diazonium ion formation >> Specific Imine and Thione Derivatives",1,"Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated ketones|SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"alpha,beta-unsaturated carbonyls (Genotox)|Aromatic diazo (Genotox)|Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinoneimine Derivatives|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Radical >> Radical mechanism by ROS formation >> Specific Imine and Thione Derivatives|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Quinoneimine Derivatives|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> Diazonium ion formation|SN2 >> Diazonium ion formation >> Specific Imine and Thione Derivatives",1,"alpha,beta-unsaturated carbonyls|Aromatic diazo|Hydrazine",1,"alpha,beta-unsaturated carbonyls|Aromatic diazo|H-acceptor-path3-H-acceptor|Hydrazine|Nitro-aromatic",1,null,0]
["4350-09-08","5-hydroxy-l-tryptophan;l-5-hydroxytryptophan;5-hydroxytryptophan;oxitriptan;l-tryptophan, 5-hydroxy-;tryptophan, 5-hydroxy-, l-;4350-09-8;(<i>s</i>)-form","C1(CC(N)C(=O)O)c2c(ccc(O)c2)NC=1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","Without S9","Inconclusive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> 5-alkoxyindoles",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["4424-06-0","c.i. pigment orange 43;pigment orange 43;bisbenzimidazo 2,1-b:2',1'-i benzo lmn  3,8 phenanthroline-8,17-dione;bisbenzimidazoХ2,1-b:2',1'-iеbenzoХlmnеХ3,8еphenanthroline-8,17-dione","C1(=O)c2c3c(C4=Nc5c(cccc5)N14)ccc1C(=O)N4C(c(c31)cc2)=Nc1c4cccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Moderate Quality, Conflict","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Imidazole, benzimidazole (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["4430-25-5","tetrabromophenol blue;4,4'-(4,5,6,7-tetrabromo-3h-2,1-benzoxathiol-3-ylidene)bis[2,6-dibromophenol] s,s-dioxide;phenol, 4,4'-(4,5,6,7-tetrabromo-1,1-dioxido-3h-2,1-benzoxathiol-3-ylidene)bis[2,6-dibromo-;benzenesulfonic acid, 2- bis(3,5-dibromo-4-hydroxyphenyl)hydroxymethyl -3,4,5,6-tetrabromo-;phenol, 4,4'-(4,5,6,7-tetrabromo-3h-2,1-benzoxathiol-3-ylidene)bisХ2,6-dibromo-, s,s-dioxide;4,4'-(4,5,6,7-tetrabromo-1,1-dioxido-3h-2,1-benzoxathiole-3,3-diyl)bis(2,6-dibromophenol);benzenesulfonic acid, 2-(bis(3,5-dibromo-4-hydroxyphenyl)hydroxymethyl)-3,4,5,6-tetrabromo- (9ci)","c1(C2(c3cc(Br)c(O)c(Br)c3)c3c(Br)c(Br)c(Br)c(Br)c3S(=O)(=O)O2)cc(Br)c(O)c(Br)c1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Sulfonates and Sulfates",1,"No alert found",0,"No alert found",{"$f":"IF(AA5221=\"No alert found\",0,1)","v":0},"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Sulfonates and Sulfates",{"$f":"IF(AC5221=\"No alert found\",0,1)","v":1},"No alert found",{"$f":"IF(AE5221=\"No alert found\",0,1)","v":0},"H-acceptor-path3-H-acceptor",{"$f":"IF(AG5221=\"No alert found\",0,1)","v":1},null,{"$f":"IF(AG5221=\"H-acceptor-path3-H-acceptor\",1,0)","v":1}]
["4531-49-1","c.i. pigment yellow 17;2,2'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[n-(2-methoxyphenyl)-3-oxobutyramide];butanamide, 2,2’-[(3,3’-dichloro[1,1’-biphenyl]-4,4’-diyl)bis(azo)]bis[n-(2-methoxyphenyl)-3-oxo-;butanamide, 2,2'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[n-(2-methoxyphenyl)-3-oxo-;butanamide, 2,2'- (3,3'-dichloro 1,1'-biphenyl -4,4'-diyl)bis(azo) bis n-(2-methoxyphenyl)-3-oxo-;butanamide, 2,2'-Х(3,3'-dichloroХ1,1'-biphenylе-4,4'-diyl)bis(azo)еbisХn-(2-methoxyphenyl)-3-oxo-;2,2'-[(3,3'-dichlorobiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis[n-(2-methoxyphenyl)-3-oxobutanamide];butanamide, 2,2'-((3,3'-dichloro(1,1'-biphenyl)-4,4'-diyl)bis(2,1-diazenediyl))bis(n-(2-methoxyphenyl)-3-oxo-","c1(-c2cc(Cl)c(N=NC(C(C)=O)C(=O)Nc3c(OC)cccc3)cc2)cc(Cl)c(N=NC(C(C)=O)C(=O)Nc2c(OC)cccc2)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Inconclusive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic azo",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["4612-63-9","2,3-dimethylfluorene","c12-c3c(cc(C)c(C)c3)Cc1cccc2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Inconclusive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1,null,0]
["4792-83-0","p-azoxyphenetol","c1(OCC)ccc(N{-}N{+}(=O)c2ccc(OCC)cc2)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","With S9","Inconclusive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["5002-47-1","fluphenaline decanoate;fluphenazine o-decanoate;decanoic acid, 2-[4-[3-[2-(trifluoromethyl)-10h-phenothiazin-10-yl]propyl]-1-piperazinyl]ethyl ester;fluphenazine decanoate;2-(4-{3-[2-(trifluoromethyl)-10h-phenothiazin-10-yl]propyl}piperazin-1-yl)ethyl decanoate;decanoic acid, 2-(4-(3-(2-(trifluoromethyl)-10h-phenothiazin-10-yl)propyl)-1-piperazinyl)ethyl ester;5002-47-1","C(F)(F)(F)c1cc2c(cc1)Sc1c(cccc1)N2CCCN1CCN(CCOC(=O)CCCCCCCCC)CC1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["5160-02-01","c.i. pigment red 53, barium salt","C1(=O)C(=NNc2c(S(=O)(=O)O{-}.[Ba]{2+}.O{-}S(=O)(=O)c3c(NN=C4c5c(C=CC4=O)cccc5)cc(C)c(Cl)c3)cc(Cl)c(C)c2)c2c(C=C1)cccc2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Benzenesulfonic ethers, methylation (Nongenotox)|Halogenated benzene (Nongenotox)|Hydrazine (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"No alert found",0,"Hydrazine",1,"H-acceptor-path3-H-acceptor|Hydrazine",1,null,0]
["5275-46-7","2-nitroso-2-nitropropane;propane, 2-nitro-2-nitroso-","C(C)(C)(N=O)N(=O)=O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"No alert found",0,"No alert found",0,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["5397-31-9","3-((2-ethylhexyl)oxy)propylamine;3-((2-ethylhexyl)oxy)-propylamine;3-(2-ethylhexyloxy)propylamine;1-propanamine, 3-[(2-ethylhexyl)oxy]-;3-((ethylhexyl)oxy)propylamine;1-propanamine, 3- (2-ethylhexyl)oxy -;propylamine, 3-((2-ethylhexyl)oxy)-;1-propanamine, 3-((2-ethylhexyl)oxy)-;3-[(2-ethylhexyl)oxy]propan-1-amine","C(CCCC)(CC)COCCCN","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Structural alert for nongenotoxic carcinogenicity|Substituted n-alkylcarboxylic acids (Nongenotox)",1,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["5410-97-9","3-nitrodibenzofuran;dibenzofuran, 3-nitro-","c12-c3c(cc(N(=O)=O)cc3)Oc1cccc2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Moderate Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Heterocyclic Polycyclic Aromatic Hydrocarbons|Nitro-aromatic",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons|Nitro-aromatic",1,null,0]
["5581-32-8","3,3'-[(1-methylethylidene)bis(4,1-phenyleneoxy)]bispropane-1,2-diol;3,3'-[propane-2,2-diylbis(benzene-4,1-diyloxy)]dipropane-1,2-diol;1,2-propanediol, 3,3'-[(1-methylethylidene)bis(4,1-phenyleneoxy)]bis-;3,3'-((1-methylethylidene)bis(4,1-phenyleneoxy))bispropane-1,2-diol","c1(C(C)(C)c2ccc(OCC(O)CO)cc2)ccc(OCC(O)CO)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["5598-15-2","chlorpyrifos oxon;phosphoric acid, diethyl 3,5,6-trichloro-2-pyridinyl ester;phosphoric acid, diethyl 3,5,6-trichloro-2-pyridinyl ester (9ci);5598-15-2","c1(Cl)c(Cl)cc(Cl)c(OP(=O)(OCC)OCC)n1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"No alert found",0,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid|H-acceptor-path3-H-acceptor",1,null,0]
["5742-19-8","2,4-dichlorophenoxyacetic acid diethanolamine salt","c1(OCC(=O)O)c(Cl)cc(Cl)cc1_C(O)CNCCO","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found|Schiff base formers|Schiff base formers >> Chemicals Activated by P450 to Glyoxal |Schiff base formers >> Chemicals Activated by P450 to Glyoxal  >> Ethanolamines (including morpholine)",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["5857-92-1","3,3'-diamino-4,4'-dimethylazoxybenzene","c1(C)c(N)cc(N{-}N{+}(=O)c2cc(N)c(C)cc2)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"Primary aromatic amine, hydroxyl amine and its derived esters",1,null,0]
["6000-43-7","glycine hydrochloride","C(=O)(O)CN_Cl{-}_R","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","With S9","Inconclusive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["6028-07-05","harmalol hydrochloride;1-methyl-3,4-dihydro-?-carboline-7-ol hydrochloride (monohydrate)","C12C(=C3C(=C(C)NCC3)N1)C=CC(=O)C=2_Cl{-}_R","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated ketones|No alert found",1,"alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"alpha,beta-unsaturated carbonyls",1,"alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor",1,null,0]
["6164-98-3","chlordimeform;n'-(4-chloro-2-methylphenyl)-n,n-dimethylimidoformamide;methanimidamide, n'-(4-chloro-2-methylphenyl)-n,n-dimethyl-;n'-(4-chloro-2-methylphenyl)-n,n-dimethylmethanimidamide;chlorphenamidine;6164-98-3","c1(N=CN(C)C)c(C)cc(Cl)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["6190-65-4","2-chloro-4-amino-6-(isopropylamino)-s-triazine;desethylatrazine;deethylatrazine;6-chloro-n-(1-methylethyl)-1,3,5-triazine-2,4-diamine;1,3,5-triazine-2,4-diamine, 6-chloro-n-(1-methylethyl)-","c1(Cl)nc(N)nc(NC(C)C)n1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Moderate Quality","NO","Romualdo Benigni","Without S9","Inconclusive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",{"$f":"IF(W5319=\"No alert found\",0,1)","v":1},"No alert found",0,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"Primary aromatic amine, hydroxyl amine and its derived esters",1,null,0]
["6326-72-3","trimethylphosphoramide","CNP(=O)(NC)NC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Inconclusive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["6379-69-7","trichothecin;trichothec-9-en-8-one, 12,13-epoxy-4-hydroxy-, crotonate (8ci)","C12(C3(C)C4(C)C(C=C(C)C(=O)C4)OC1CC3OC(=O)C=CC)CO2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated esters|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated ketones|SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides",1,"alpha,beta-unsaturated carbonyls (Genotox)|Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"alpha,beta-unsaturated carbonyls|Epoxides and aziridines",1,"alpha,beta-unsaturated carbonyls|Epoxides and aziridines|H-acceptor-path3-H-acceptor",1,null,0]
["6393-01-07","4-amino-2,5-dimethylaniline;2,5-dimethylbenzene-1,4-diamine;1,4-benzenediamine, 2,5-dimethyl-","c1(N)c(C)cc(N)c(C)c1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"Primary aromatic amine, hydroxyl amine and its derived esters",1,null,0]
["6606-59-3","1,6-hexanediol dimethacrylate;1,6-hexanediyl bismethacrylate;2-propenoic acid, 2-methyl-, 1,6-hexanediyl ester;methacrylic acid, hexamethylene ester;hexane-1,6-diyl bis(2-methylprop-2-enoate);2-propenoic acid, 2-methyl-, 1,1'-(1,6-hexanediyl) ester","C(=O)(C(=C)C)OCCCCCCOC(=O)C(=C)C","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated esters",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["6673-35-4","practolol;n-{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl}acetamide;acetamide, n-[4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]phenyl]-;n-[4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]phenyl]acetamide;n-[4-({2-hydroxy-3-[(1-methylethyl)amino]propyl}oxy)phenyl]acetamide;acetamide, n-(4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)phenyl)-;6673-35-4","c1(OCC(O)CNC(C)C)ccc(NC(C)=O)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Aromatic N-acyl amine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aromatic N-acyl amine",1,"Aromatic N-acyl amine|H-acceptor-path3-H-acceptor",1,null,0]
["6756-41-8","1-[(4-methylphenyl)azo]-2-naphthalenol","C1(=O)C(=NNc2ccc(C)cc2)c2c(C=C1)cccc2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Hydrazine",1,"H-acceptor-path3-H-acceptor|Hydrazine",1,null,0]
["7059-24-7","chromomycin a3;3d-o-(4-o-acetyl-2,6-dideoxy-3-c-methyl-±-l-arabino-hexopyranosyl)-7-methylolivomycin d;3d-o-(4-o-acetyl-2,6-dideoxy-3-c-methyl-?-l-arabino-hexopyranosyl)-7-methylolivomycin d;olivomycin d, 3b-o-(4-o-acetyl-2,6-dideoxy-3-c-methyl-alpha-l-arabino-hexopyranosyl)-7-methyl- (9ci);chromomycin a<sub>2</sub>;4<sup>e</sup>-deacyl, 4<sup>e</sup>-ac","C1(=O)c2c(O)c3c(O)c(C)c(OC4CC(OC5CC(O)C(OC)C(C)O5)C(OC(C)=O)C(C)O4)cc3cc2CC(C(C(=O)C(O)C(C)O)OC)C1OC1CC(OC2CC(OC3CC(C)(O)C(OC(C)=O)C(C)O3)C(O)C(C)O2)C(O)C(C)O1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","Without S9","Inconclusive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Specific Acetate Esters|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Specific Acetate Esters|SN2|SN2 >> Acylating agents|SN2 >> Acylating agents >> Specific Acetate Esters|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Specific Acetate Esters",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Alkyl phenols",1,"No alert found",0,"Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Specific Acetate Esters|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Specific Acetate Esters|SN2|SN2 >> Acylating agents|SN2 >> Acylating agents >> Specific Acetate Esters|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Specific Acetate Esters",1,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["7085-55-4","troxerutin;2-[3,4-bis(2-hydroxyethoxy)phenyl]-5-hydroxy-7-(2-hydroxyethoxy)-4-oxo-4h-chromen-3-yl 6-o-(6-deoxy-alpha-l-mannopyranosyl)-beta-d-glucopyranoside;4h-1-benzopyran-4-one, 2-[3,4-bis(2-hydroxyethoxy)phenyl]-3-[[6-o-(6-deoxy-.alpha.-l-mannopyranosyl)-.beta.-d-glucopyranosyl]oxy]-5-hydroxy-7-(2-hydroxyethoxy)-","C1(OC2C(O)C(O)C(O)C(COC3C(O)C(O)C(O)C(C)O3)O2)C(=O)c2c(O)cc(OCCO)cc2OC=1c1cc(OCCO)c(OCCO)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Quercetin type flavonoids (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"1,3-dialkoxy-benzene|H-acceptor-path3-H-acceptor",1,null,0]
["7269-60-5","n-hydroxy-9-methyladenine","c1(NO)c2c(N(C)C=N2)ncn1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> N-hydroxylamines",1,"No alert found",0,"Imidazole, benzimidazole (Nongenotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> N-hydroxylamines",1,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters",1,null,0]
["7381-01-03","sodium lauroylisethionate;sodium 2-sulphonatoethyl laurate;dodecanoic acid, 2-sulfoethyl ester, sodium salt;lauric acid, ester with 2-hydroxyethanesulfonic acid, sodium salt;sodium 2-(dodecanoyloxy)ethanesulfonate","C(=O)(CCCCCCCCCCC)OCCS(=O)(=O)O{-}.[Na]{+}","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["7433-46-7","n-hydroxy-n'-methylurea;urea, n-hydroxy-n'-methyl- (9ci)","C(=O)(NC)NO","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Inconclusive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> N-hydroxylamines|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"No alert found",0,"No alert found",0,"SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> N-hydroxylamines|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["7440-47-3","potassium dichromate;chromium iii nitrate;sodium dichromate;chromium;chromium compounds;chromium (metallic);chromicacidanditssalts","[Cr]","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 102","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Metals, oxidative stress (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["7447-40-7","potassium chloride;potassium chloride (kcl);kcl;potassium chloride, (kcl);potassium chloide","Cl{-}.K{+}","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Inconclusive","CCRIS database,Toxnet databases","TA 102","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["7481-89-2","dideoxycytidine;cytidine, 2',3'-dideoxy-;2',3'-dideoxycytidine;cytidine, 2 ,3 -dideoxy-;cytidine, 2’,3’-dideoxy-;zalcitibine","C1(N)C=CN(C2CCC(CO)O2)C(=O)N=1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor|Oxolane",1,null,0]
["7631-90-5","sodium bisulfite","O=S(O{-})O{-}.[Na]{+}","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["7647-14-5","sodium chloride;sodium chloride (nacl);sodium chloride [usan:jan]","[Na]{+}.Cl{-}","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["7693-13-2","calcium citrate","C(=O)(O)C1(O)CC(=O)O{-}.[Ca]{2+}.O{-}C(=O)C1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","With S9","Inconclusive","CCRIS database,Toxnet databases","TA 102","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["7732-18-5","water","O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["7756-96-9","butyl anthranilate;benzoic acid, 2-amino-, butyl ester;butyl 2-aminobenzoate;anthranilic acid, butyl ester (6ci,7ci,8ci)","C(=O)(c1c(N)cccc1)OCCCC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters",1,null,0]
["7758-98-7","copper ii sulphate;copper sulphate;copper ii sulfate;copper(2+) sulfate;sulfuric acid copper(2++) salt (1:1);copper sulfate;sulfuric acid copper(2+) salt (1:1);copper (ii) sulfate (anhydrous);cupric sulfate anhydrous;sulfuric acid, copper(2+) salt (1:1);copper (ii) sulfate;copper sulfate, anhydrous;copper sulfate  (bordeaux powder);copper(ii) sulfate","O=S1(=O)O{-}.[Cu]{2+}.O{-}1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Inconclusive","CCRIS database,Toxnet databases","TA 102","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Metals, oxidative stress (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["7779-77-3","isobutyl anthranilate;benzoic acid, 2-amino-, 2-methylpropyl ester;2-methylpropyl 2-aminobenzoate","C(=O)(c1c(N)cccc1)OCC(C)C","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters",1,null,0]
["7784-13-6","aluminum chloride hexahydrate","[Al]{3+}(.Cl{-})(.Cl{-}).Cl{-}_O_O_O_O_O_O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","Without S9","Inconclusive","CCRIS database,Toxnet databases","TA 102","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["7787-56-6","beryllium sulfate tetrahydrate","[Be]{2+}1.O{-}S(=O)(=O)O{-}.1_O_O_O_O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality, Conflict","NO","Romualdo Benigni","With S9","Equivocal","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["7789-06-02","strontium chromate;chromic acid (h2cro4), strontium salt (1:1);strontium dioxido(dioxo)chromium","O=[Cr]1(=O)O{-}.[Sr]{2+}.O{-}1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Metals, oxidative stress (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["8003-03-0","apc;aspirin mixture with caffeine and phenacetin","C(=O)(O)c1c(OC(C)=O)cccc1_C1(=O)C2=C(N(C)C(=O)N1C)N=CN2C_c1(OCC)ccc(NC(C)=O)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Specific Acetate Esters|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Specific Acetate Esters|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives|SN2|SN2 >> Acylating agents|SN2 >> Acylating agents >> Specific Acetate Esters|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Specific Acetate Esters",1,"No alert found|SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"Aromatic N-acyl amine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aromatic N-acyl amine",1,"Aromatic N-acyl amine|H-acceptor-path3-H-acceptor",1,null,0]
["8024-37-1","tumeric oleoresin;turmeric oleoresin (79%-85% curcumin);turmeric oleoresin;oils, curcuma","c1(O)c(OC)cc(C=CC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["8047-99-2","n-ethyltoluenesulfonamide;n-ethyl-o(or p)-toluenesulphonamide;benzenesulfonamide, n-ethyl-2(or 4)-methyl-;toluene ethylsulfonamide","c1(S(=O)(=O)NCC)ccc(C)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["9001-37-0","glucose oxidase;oxidase, glucose",null,"Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","(N/A)",1,"(N/A)",1,"(N/A)",1,"(N/A)",1,"(N/A)",1,"(N/A)",1,null,0]
["9004-53-9","dextrin","C1(O)C(O)C(O)C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)C(CO)O3)C(CO)O2)C(CO)O1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["9004-67-5","methyl cellulose;cellulose, methyl ether;methyl ether, cellulose",null,"Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","(N/A)",1,"(N/A)",1,"(N/A)",1,"(N/A)",1,"(N/A)",1,"(N/A)",1,null,0]
["9014-90-8","polyoxyethylene nonyl phenyl ether sulfate, sodium salt","c1(Oc2c(CCCCCCCCC)cccc2)c(CCCCCCCCC)cccc1_O=S(=O)(O)O{-}.[Na]{+}","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"1-phenoxy-benzene|H-acceptor-path3-H-acceptor",1,null,0]
["9041-93-4","bleomycin sulfate","C(=O)(c1c(C)c(N)nc(C(CC(N)=O)NCC(N)C(N)=O)n1)NC(C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCC1=NC(C2=NC(C(=O)NCCCS{+}(C)(C).O{-}S(=O)(=O)O)=CS2)=CS1)C(C)O)C(C1=CN=CN1)OC1C(OC2C(O)C(OC(N)=O)C(O)C(CO)O2)C(O)C(O)C(CO)O1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"No alert found",0,"Alkyl carbamate and thiocarbamate (Genotox)|alpha,beta-unsaturated carbonyls (Genotox)|Imidazole, benzimidazole (Nongenotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"No alert found",0,"Alkyl carbamate and thiocarbamate|alpha,beta-unsaturated carbonyls",1,"Alkyl carbamate and thiocarbamate|alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor",1,null,0]
["10025-91-9","antimony trichloride","C1(=O)C(=C(N)O)C(=O)C2(O)C(=O)C3=C(O)c4c(C(C)(O)C3CC2C1N(C)C)c(Cl)ccc4O_Cl{-}.[Sb]{3+}(.Cl{-}).Cl{-}","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found|SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"alpha,beta-unsaturated carbonyls (Genotox)|Halogenated benzene (Nongenotox)|No alert found|Structural alert for nongenotoxic carcinogenicity|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"No alert found",0,"alpha,beta-unsaturated carbonyls|No alert found",1,"alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor|No alert found",1,null,0]
["10045-86-0","ferric orthophosphate;phosphoric acid, iron(3++) salt (1:1);iron orthophosphate;phosphoric acid, iron(3+) salt (1:1);iron(3+) phosphate","O=P12O{-}.[Fe]{3+}(.O{-}1).O{-}2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Moderate Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["10060-12-5","chromium chloride, hexahydrate","Cl{-}.[Cr]{3+}(.Cl{-}).Cl{-}_O_O_O_O_O_O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Metals, oxidative stress (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["10102-17-7","sodium thiosulfate pentahydrate","O_O_O_O_O_O=S(=O)(O{-}.[Na]{+})S{-}.[Na]{+}","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["10228-40-7","7-hydroxyemodin","c12C(=O)c3c(C(=O)c1c(O)c(O)c(O)c2)c(O)cc(C)c3","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Inconclusive","CCRIS database,Toxnet databases","TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones",1,"Quinones (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones",1,"Quinones",1,"H-acceptor-path3-H-acceptor|Quinones",1,null,0]
["10279-63-7","chromium potassium sulfate","O=S(=O)(O{-}.K{+})O{-}.[Cr]{3+}1.O{-}S(=O)(=O)O{-}.1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","Without S9","Inconclusive","CCRIS database,Toxnet databases","TA 92","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Metals, oxidative stress (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["10396-70-0","n-p-nitrophenyl-d-xylosylamine",null,"Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","NO","Romualdo Benigni","Without S9","Inconclusive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","(N/A)",1,"(N/A)",1,"(N/A)",1,"(N/A)",1,"(N/A)",1,"(N/A)",1,null,0]
["10453-89-1","dl-chrysanthemic acid;chrysanthemic acid;cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-;2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylic acid;10453-89-1","C(=O)(O)C1C(C)(C)C1C=C(C)C","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["11042-64-1","gamma-oryzanol;?-oryzanol;.gamma.-oryzanol;9,19-cyclo-9beta-lanost-24-en-3beta-ol 4-hydroxy-3-methoxycinamate","C12(C)C(C)(C3C4(C5(C(C(C)(C)C(OC(=O)C=Cc6cc(OC)c(O)cc6)CC5)CC3)C4)CC1)CCC2C(C)CCC=C(C)C","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["12030-88-5","potassium dioxide;potassium superoxide;potassium superoxide (k(o2))","K{+}_O=O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["12122-67-7","zineb;zinc ethylenebisthiocarbamate;zinc ethane-1,2-diyldicarbamodithioate;zinc, [[1,2-ethanediylbis(carbamodithioato)](2-)]-;[n-[2-[(dithiocarboxy)amino]ethyl]carbamodithioato(2-)-kappas,kappas']zinc;zineb/pcnb granular mixture","C1(=S)NCCNC(=S)S{-}.[Zn]{2+}.S{-}1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["12771-68-5","ancymidol;±-cyclopropyl-±-(4-methoxyphenyl)-5-pyrimidylmethanol;?-cyclopropyl-?-(4-methoxyphenyl)-5-pyrimidylmethanol;cyclopropyl(4-methoxyphenyl)pyrimidin-5-ylmethanol;alpha-cyclopropyl-alpha-(4-methoxyphenyl)-5-pyrimidinemethanol;5-pyrimidinemethanol, alpha-cyclopropyl-alpha-(p-methoxyphenyl)-;12771-68-5","c1(C(O)(c2ccc(OC)cc2)C2CC2)cncnc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["13154-57-9","2,6-di-tert-butyl-4-methyl-4-tert-butylperoxy-2,5-cyclohexadienone","C(C)(C)(C)C1C(=O)C(C(C)(C)C)=CC(C)(OOC(C)(C)C)C=1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Organic Peroxy Compounds",1,"Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated ketones",1,"alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"alpha,beta-unsaturated carbonyls",1,"alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor",1,null,0]
["13195-64-7","diisopropyl malonate;propanedioic acid, bis(1-methylethyl) ester;dipropan-2-yl propanedioate","C(=O)(CC(=O)OC(C)C)OC(C)C","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["13450-90-3","gallium chloride;gallium chloride (gacl3);gallium trichloride;gallium chloride  (gacl3)","Cl{-}.[Ga]{3+}(.Cl{-}).Cl{-}","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["13552-21-1","mono-sec-butanolamine;1-amino-2-butanol","C(O)(CC)CN","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["13593-03-8","quinalphos;diethquinalphion;o,o-diethyl o-quinoxalin-2-yl phosphorothioate;phosphorothioic acid o,o-diethyl o-2-quinoxalinyl ester;o,o-diethyl-o-2-quinoxalinylester, phosphorothioic acid;phosphorothioic acid, o,o-diethyl o-(2-quinoxalinyl) ester;13593-03-8","c12c(cccc1)nc(OP(=S)(OCC)OCC)cn2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 102","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"No alert found",0,"No alert found",0,"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["13820-40-1","diammonium tetrachloropalladate;palladate(2-), tetrachloro-, diammonium, (sp-4-1)-","HN{+}(H)(H).[Pd]{2-}(.N{+})(Cl)(Cl)(Cl)Cl","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["13855-74-8","4-chloro-n-(hydroxymethyl)benzamide;4-chloro-n-hydroxymethyl-benzamide;benzamide, 4-chloro-n-(hydroxymethyl)-","C(=O)(c1ccc(Cl)cc1)NCO","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Moderate Quality","NO","Romualdo Benigni","With S9","Inconclusive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Halogenated benzene (Nongenotox)|N-methylol derivatives (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"No alert found",0,"N-methylol derivatives",1,"H-acceptor-path3-H-acceptor|N-methylol derivatives",1,null,0]
["14078-41-2","3-tert-butyl-4-hydroxyanisole dimer;[1,1'-biphenyl]-2,2'-diol, 3,3'-bis(1,1-dimethylethyl)-5,5'-dimethoxy-;(1,1'-biphenyl)-2,2'-diol, 3,3'-bis(1,1-dimethylethyl)-5,5'-dimethoxy-","C(C)(C)(C)c1c(O)c(-c2c(O)c(C(C)(C)C)cc(OC)c2)cc(OC)c1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones",1,"o-phenylphenol (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["14385-22-9","n-(4-chlorophenyl)-n-hydroxy-2-methylpropanamide","C(=O)(C(C)C)N(O)c1ccc(Cl)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> N-hydroxylamines",1,"No alert found",0,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> N-hydroxylamines",1,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters",1,null,0]
["14448-67-0","3-methyl-2-benzothiazolinone hydrazone hydrochloride","c12c(cccc1)N(C)C(=NN)S2_Cl{-}_R","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found|Nucleophilic addition|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization >> Hydrazine Derivatives|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Hydrazine Derivatives",1,"No alert found",0,"Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Hydrazine",1,"H-acceptor-path3-H-acceptor|Hydrazine",1,null,0]
["14667-55-1","trimethylpyrazine;pyrazine, trimethyl-;2,3,5-trimethylpyrazine;14667-55-1","c1(C)c(C)nc(C)cn1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["14992-81-5","pentachlorostyrene","C(Cl)(c1c(Cl)c(Cl)ccc1)=C(Cl)Cl","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["15131-84-7","chrysene 5,6-oxide;chrysene-5,6-oxide;chryseno(5,6-b)oxirene, 1a,11c-dihydro- (9ci)","c12-c3c(c4c(cccc4)cc3)C3C(c1cccc2)O3","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides",1,"Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Epoxides and aziridines",1,"Epoxides and aziridines",1,null,0]
["15403-45-9","3,3'-dicarbomethoxybenzidine;(1,1'-biphenyl)-3,3'-dicarboxylic acid, 4,4'-diamino-, dimethyl ester","C(=O)(c1c(N)ccc(-c2cc(C(=O)OC)c(N)cc2)c1)OC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters",1,null,0]
["15702-53-1","magnesium silicate","[Mg]{2+}_[Mg]{2+}_O=[Si]1O{-}.[Mg]{2+}.O{-}1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["16051-77-7","monisid;d-glucitol, 1,4:3,6-dianhydro-, 5-nitrate;isosorbide mononitrate;1,4:3,6-dianhydro-5-o-nitro-d-glucitol;glucitol, 1,4:3,6-dianhydro-, 5-nitrate, d-;16051-77-7","C1(O)C2C(C(ON(=O)=O)CO2)OC1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical decomposition|Radical >> Radical decomposition >> Alkylnitrites|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Alkylnitrites|SN1|SN1 >> Nitrosation|SN1 >> Nitrosation >> Alkylnitrites",1,"No alert found",0,"No alert found",0,"Radical|Radical >> Radical decomposition|Radical >> Radical decomposition >> Alkylnitrites|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Alkylnitrites|SN1|SN1 >> Nitrosation|SN1 >> Nitrosation >> Alkylnitrites",1,"No alert found",0,"H-acceptor-path3-H-acceptor|Oxolane",1,null,0]
["16354-55-5","7-methyl-12-ethylbenz[a]anthracene;benz(a)anthracene, 12-ethyl-7-methyl-","c12c(c3c(CC)c4c(c(C)c3cc1)cccc4)cccc2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Inconclusive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition|SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1",1,"Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1,null,0]
["16529-56-9","2-methyl-3-butenenitrile;3-butenenitrile, 2-methyl-;2-methylbut-3-enenitrile","C(#N)C(C)C=C","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["16872-11-0","tetrafluoroboric acid","H{+}.B{-}(F)(F)(F)F","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["17096-47-8","n-methyl-2-nitratoethylnitramine;2-(methylnitroamino)ethyl nitrate;2-[methyl(nitro)amino]ethyl nitrate;ethanol, 2-(methylnitroamino)-, nitrate (ester) (9ci)","C(CN(C)N(=O)=O)ON(=O)=O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical decomposition|Radical >> Radical decomposition >> Alkylnitrites|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Alkylnitrites|SN1|SN1 >> Nitrosation|SN1 >> Nitrosation >> Alkylnitrites",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Aliphatic N-Nitro",1,"Aliphatic N-nitro group (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical decomposition|Radical >> Radical decomposition >> Alkylnitrites|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Alkylnitrites|SN1|SN1 >> Nitrosation|SN1 >> Nitrosation >> Alkylnitrites",1,"Aliphatic N-nitro group",1,"Aliphatic N-nitro group|H-acceptor-path3-H-acceptor",1,null,0]
["17341-40-1","1,1-dimethyl-1-(2-hydroxypropylamine)methacrylimide","C(=O)(C(=C)C)NN{+}(C)(C)CC(C)O{-}","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"alpha,beta-unsaturated carbonyls",1,"alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor",1,null,0]
["17479-19-5","dihydroergocristine;(5'alpha,10alpha)-5'-benzyl-12'-hydroxy-3',6',18-trioxo-2'-(propan-2-yl)-9,10-dihydroergotaman;erotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-(1-methylethyl)-5'-(phenylmethyl)-, (5'alpha,10alpha)-","C12c3c(C4C(C1)N(C)CC(C(=O)NC1(C(C)C)C(=O)N5C(O)(C6CCCN6C(=O)C5Cc5ccccc5)O1)C4)cccc3NC=2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes|SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["17722-71-3","n-(3,4-dichlorophenyl)-succinamide","c1(Cl)c(Cl)cc(NC(=O)CCC(N)=O)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["18172-67-3","(-)-beta-pinene;(1s)-(-)-beta-pinene;(1s)-6,6-dimethyl-2-methylenebicyclo[3.1.1]heptane;bicyclo 3.1.1 heptane, 6,6-dimethyl-2-methylene-, (1s)-;2(10)-pinene, (1s,5s)-(-)-;bicycloÕ3.1.1åheptane, 6,6-dimethyl-2-methylene-, (1s)-;(-)-pin-2(10)-ene;bicyclo[3.1.1]heptane, 6,6-dimethyl-2-methylene-, (1s)-;bicyclo[3.1.1]heptane, 6,6-dimethyl-2-methylene-, (1s,5s)-;bicycloХ3.1.1еheptane, 6,6-dimethyl-2-methylene-, (1s)-;6,6-dimethyl-2-methylenebicyclo[3.1.1]heptane;(1s,5s)-6,6-dimethyl-2-methylenebicyclo[3.1.1]heptane;bicyclo(3.1.1)heptane, 6,6-dimethyl-2-methylene-, (1s,5s)-","C1(=C)C2C(C)(C)C(CC1)C2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["18873-03-5","4'-methoxychalcone oxide","c1(C(=O)C2C(c3ccccc3)O2)ccc(OC)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes|SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides",1,"Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Epoxides and aziridines",1,"Epoxides and aziridines|H-acceptor-path3-H-acceptor",1,null,0]
["18883-66-4","streptozotocin;streptozocin;glucopyranose, 2-deoxy-2-(3-methyl-3-nitrosoureido)-, d-;d-glucose, 2-deoxy-2-[[(methylnitrosoamino)carbonyl]amino]-;2-deoxy-2-{[methyl(nitroso)carbamoyl]amino}-alpha-d-glucopyranose;2-deoxy-2-[[(methylnitrosoamino)carbonyl]amino]-d-glucose;2-deoxy-2-({[methyl(nitroso)amino]carbonyl}amino)-alpha-d-glucopyranose;d-glucose, 2-deoxy-2-(((methylnitrosoamino)carbonyl)amino)- (9ci)","C(=O)(N(C)N=O)NC1C(O)C(O)C(CO)OC1O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2",1,"Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"Alkyl and aryl N-nitroso groups",1,"Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor",1,null,0]
["19213-09-3","n-(beta-hydroxybutyryl)-p-aminophenol;deetbucet","c1(O)ccc(NC(=O)CC(C)O)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Inconclusive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["19600-63-6","1,2-epoxy-7-octene;7,8-epoxyoctene;2-(hex-5-en-1-yl)oxirane;oxirane, 5-hexenyl-","C(=C)CCCCC1CO1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides",1,"Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Epoxides and aziridines",1,"Epoxides and aziridines",1,null,0]
["20265-96-7","p-chloroaniline hydrochloride","c1(Cl)ccc(N)cc1_Cl{-}_R","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"No alert found|SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"Primary aromatic amine, hydroxyl amine and its derived esters",1,null,0]
["21232-47-3","3,3',4,4'-tetrachloroazoxybenzene","c1(Cl)c(Cl)cc(N{-}N{+}(=O)c2cc(Cl)c(Cl)cc2)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["21362-69-6","mepitiostane;androstane, 2,3-epithio-17-((1-methoxycyclopentyl)oxy)-, (2alpha,3alpha,5alpha,17beta)-","C12(C)C(C3C(C4(C)C(CC5C(C4)S5)CC3)CC1)CCC2OC1(OC)CCCC1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Sulfuranes",1,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["21829-25-4","nifedipine;3,5-pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(2-nitrophenyl)-, dimethyl ester;21829-25-4","C(=O)(C1=C(C)NC(C)=C(C(=O)OC)C1c1c(N(=O)=O)cccc1)OC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality, Conflict","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic",1,null,0]
["22608-53-3","o,s,s-trimethyl phosphorodithioate;phosphorodithioic acid, o,s,s-trimethyl ester;22608-53-3","COP(=O)(SC)SC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Moderate Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"No alert found",0,"No alert found",0,"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["22755-15-3","n-acetyl-1-aminopyrene;acetamide, n-1-pyrenyl-","c12c3c4c(c(NC(C)=O)ccc4ccc3ccc1)cc2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 98(1,8-DNP6)","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"No alert found",0,"Aromatic N-acyl amine (Genotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",{"$f":"IF(AA5797=\"No alert found\",0,1)","v":1},"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",{"$f":"IF(AC5797=\"No alert found\",0,1)","v":1},"Aromatic N-acyl amine|Polycyclic Aromatic Hydrocarbons",{"$f":"IF(AE5797=\"No alert found\",0,1)","v":1},"Aromatic N-acyl amine|H-acceptor-path3-H-acceptor|Polycyclic Aromatic Hydrocarbons",{"$f":"IF(AG5797=\"No alert found\",0,1)","v":1},null,{"$f":"IF(AG5797=\"H-acceptor-path3-H-acceptor\",1,0)","v":0}]
["23434-96-0","4-chlorophenylalanine methyl ester","HN{+}(H)(.Cl{-})C(C(=O)OC)Cc1ccc(Cl)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","Without S9","Inconclusive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["23590-58-1","5-chloropyrido[2,3-d]pyridazine;5-chloropyrido(2,3-d)pyridazine","c1(Cl)c2c(cnn1)nccc2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["24085-08-3","1-(4'-hydroxy-3'-hydroxymethyl)-2-(benzyl-tert-butylamino)ethanone","C(=O)(c1cc(CO)c(O)cc1)CN(C(C)(C)C)Cc1ccccc1_Cl{-}_R","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","Without S9","Inconclusive","CCRIS database,Toxnet databases","TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes|No alert found|SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["24424-99-5","di-tert-butyldicarbonate;dicarbonic acid, bis(1,1-dimethylethyl) ester;formic acid, oxydi-, di-tert-butyl ester;dicarbonic acid, c,c'-bis(1,1-dimethylethyl) ester","C(C)(C)(C)OC(=O)OC(=O)OC(C)(C)C","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Moderate Quality, Conflict","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["24634-61-5","potassium sorbate;2,4-hexadienoic acid, potassium salt (1:1), (2e,4e)-;2,4-hexadienoic acid, potassium salt, (e,e)-;potassium (e,e)-hexa-2,4-dienoate;2,4-hexadienoic acid, potassium salt, (2e,4e)-;sorbic acid, potassium salt;potassium (e,e)-sorbate;potassium (2e,4e)-hexa-2,4-dienoate","C(=O)(C=CC=CC)O{-}.K{+}","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Inconclusive","CCRIS database,Toxnet databases","TA 102","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["24954-53-8","n,n,o-tri(methylcarbamoyl)hydroxylamine","C(=O)(N(C)C(=O)NC)ONC(=O)NC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Inconclusive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["25190-06-1","polytetramethylene glycol;poly(oxy-1,4-butanediyl), ?-hydro-?-hydroxy-;poly(oxy-1,4-butanediyl), .alpha.-hydro-.omega.-hydroxy-","C(CC)(CO)OCCCC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["25265-71-8","dipropylene glycol;propanol, oxybis-;oxydipropanol;1,1-oxydi-2-propanol","C(O)(CC)OC(O)CC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["25852-70-4","butyltin tris(isooctylmercaptoacetate);triisooctyl 2,2',2''-[(butylstannylidyne)tris(thio)]triacetate;acetic acid, 2,2',2''-[(butylstannylidyne)tris(thio)]tris-, triisooctyl ester;acetic acid, 2,2',2''-[(butylstannylidyne)tris(thio)]tris-,triisooctyl ester","C(=O)(CS[Sn](CCCC)(SCC(=O)OCCCCCC(C)C)SCC(=O)OCCCCCC(C)C)OCCCCCC(C)C","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["25953-06-4","5-diethylamino-2-nitrosophenol hydrochloride","R_c1(N=O)c(O)cc(N(CC)CC)cc1_Cl{-}","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"No alert found|SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitroso|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine",1,"Aromatic mono-and dialkylamine (Genotox)|Aromatic nitroso group (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aromatic mono-and dialkylamine|Aromatic nitroso group",1,"Aromatic mono- and dialkylamine|Aromatic nitroso group  |H-acceptor-path3-H-acceptor",1,null,0]
["26289-39-4","s-(2,4-dinitrophenyl)glutathione","c1(SCC(C(=O)NCC(=O)O)NC(=O)CCC(N)C(=O)O)c(N(=O)=O)cc(N(=O)=O)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","Without S9","Inconclusive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic",1,null,0]
["26780-96-1","quinoline, 1,2-dihydro-2,2,4-trimethyl-, homopolymer;1,2-dihydro-2,2,4-trimethylquinoline;2,2,4-trimethyl-1,2-dihydroquinoline polymer;1,2-dihydro-2,2,4-trimethylquinoline, oligomers;1,2-dihydro-2,2,4-trimethylquinoline (polymer);1,2-dihydro-2,2,4-trimethylquinoline homopolymer","C1(C)c2c(cccc2)NC(C)(C)C=1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Secondary aromatic amine",1,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["27451-21-4","n-hydroxy-n-(4-methylphenyl)acetamide;acetamide, n-hydroxy-n-(4-methylphenyl)- (9ci)","c1(N(O)C(C)=O)ccc(C)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> N-hydroxylamines",1,"No alert found",0,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters",1,null,0]
["27730-03-6","4-nitrochalcone oxide","c1(C(=O)C2C(c3ccc(N(=O)=O)cc3)O2)ccccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro|SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides",1,"Epoxides and aziridines (Genotox)|Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Epoxides and aziridines|Nitro-aromatic",1,"Epoxides and aziridines|H-acceptor-path3-H-acceptor|Nitro-aromatic",1,null,0]
["28289-54-5","1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine;mptp;1,2,3,6-tetrahydro-1-methyl-4-phenylpyridine;1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine (mptp);pyridine, 1,2,3,6-tetrahydro-1-methyl-4-phenyl-","C1(c2ccccc2)=CCN(C)CC1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","Without S9","Inconclusive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["28300-74-5","antimony potassium tartrate","C(=O)(C1C(C(=O)O{-}.K{+})O[Sb]{+}2OC3C(=O)O{-}.[Sb]{+}(OC3C(=O)O{-}.2)O1)O{-}.K{+}_O_O_O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",{"$f":"IF(W5895=\"No alert found\",0,1)","v":0},"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["28920-43-6","fluoren-9-ylmethyl chloroformate;9h-fluoren-9-ylmethyl chloroformate;carbonochloridic acid, 9h-fluoren-9-ylmethyl ester;9h-fluoren-9-ylmethyl carbonochloridoate","c12-c3c(C(COC(=O)Cl)c1cccc2)cccc3","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Acyl halides (Genotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Acyl halides|Polycyclic Aromatic Hydrocarbons",1,"Acyl halides|H-acceptor-path3-H-acceptor|Polycyclic Aromatic Hydrocarbons",1,null,0]
["29385-43-1","tolyltriazole","C1(C)C2C(C=CC=1)=NNN=2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Hydrazine",1,"H-acceptor-path3-H-acceptor|Hydrazine",1,null,0]
["29702-25-8","isovitexin","C1(=O)c2c(O)c(C3C(O)C(O)C(O)C(CO)O3)c(O)cc2OC(c2ccc(O)cc2)=C1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Inconclusive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["30517-66-9","demethyldihydrosterigmatocystin;7h-furo(3',2':4,5)furo(2,3-c)xanthen-7-one, 1,2,3a,12c-tetrahydro-6,8-dihydroxy-, (3ar,12cs)-","c12C(=O)c3c(c4c(cc3O)OC3C4CCO3)Oc1cccc2O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Inconclusive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"1-phenoxy-benzene|H-acceptor-path3-H-acceptor|Oxolane",1,null,0]
["31876-38-7","moniliformin;3-hydroxy-3-cyclobutene-1,2-dione","C1(=O)C(=O)C(=O)C{-}1.K{+}","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["32064-64-5","methylhydrazine oxalate","C(=O)(O)C(=O)O_CNN","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found|Nucleophilic addition|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization >> Hydrazine Derivatives|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Hydrazine Derivatives",1,"No alert found|SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Hydrazine",1,"Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found|Nucleophilic addition|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization >> Hydrazine Derivatives|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Hydrazine Derivatives",1,"Hydrazine",1,"H-acceptor-path3-H-acceptor|Hydrazine",1,null,0]
["32780-64-6","labetalol hydrochloride","C(N)(=O)c1c(O)ccc(C(O)CNC(C)CCc2ccccc2)c1_Cl{-}_R","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes|No alert found",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["32784-82-0","improsulfan tosylate","c1(S(=O)(=O)O)ccc(C)cc1_C(CCNCCCOS(C)(=O)=O)OS(C)(=O)=O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found|SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Sulfonates and Sulfates",1,"No alert found|SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Sulfonates",1,"Benzenesulfonic ethers, methylation (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found|SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Sulfonates and Sulfates",1,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["33118-34-2","polygodial","C1(C)(C)C2C(C)(C(C=O)C(C=O)=CC2)CCC1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","Without S9","Inconclusive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated aldehydes|Schiff base formers|Schiff base formers >> Direct Acting Schiff Base Formers|Schiff base formers >> Direct Acting Schiff Base Formers >> Mono aldehydes",1,"Simple aldehyde (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Simple aldehyde",1,"H-acceptor-path3-H-acceptor|Simple aldehyde",1,null,0]
["33399-00-7","bromfenvinphos;phosphoric acid, 2-bromo-1-(2,4-dichlorophenyl)ethenyl diethyl ester;phosphoric acid, 2-bromo-1-(2,4-dichlorophenyl)ethenyl diethyl ester (9ci);33399-00-7","C(c1c(Cl)cc(Cl)cc1)(=CBr)OP(=O)(OCC)OCC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"No alert found",0,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid|H-acceptor-path3-H-acceptor",1,null,0]
["34381-68-5","acebutolol hydrochloride","C(C)(=O)c1c(OCC(O)CNC(C)C)ccc(NC(=O)CCC)c1_Cl{-}_R","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["35142-05-3","aristolic acid;phenanthro(3,4-d)-1,3-dioxole-5-carboxylic acid, 8-methoxy-","C(=O)(O)c1c2c(c3c(c(OC)ccc3)cc2)c2c(c1)OCO2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","G 46","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"No alert found",0,"1,3-Benzodioxoles (Nongenotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1,"H-acceptor-path3-H-acceptor|Polycyclic Aromatic Hydrocarbons",1,null,0]
["35691-65-7","1,2-dibromo-2,4-dicyanobutane;pentanedinitrile, 2-bromo-2-(bromomethyl)-;1, 2-dibromo-2,4-dicyanobutane;2-bromo-2-(bromomethyl)pentanedinitrile;methyldibromo glutaronitrile;dibromodicyanobutanetextamer 38;dibromodicyanobutane;dibromodicyanobutane textamer 38;35691-65-7","C(#N)C(Br)(CCC#N)CBr","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation >> Vicinal Dihaloalkanes|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups",1,"No alert found",0,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups",1,"Aliphatic halogens",1,"Aliphatic halogen",1,null,0]
["36097-31-1","ipo 2363","c1(NC(=O)N(C)CCO)ccccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic phenylureas",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["37151-16-9","2-(p-nitrophenyl)adenosine;adenosine, 2-(4-nitrophenyl)-","c1(-c2ccc(N(=O)=O)cc2)nc(N)c2c(N(C3C(O)C(O)C(CO)O3)C=N2)n1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100(1,8-DNP6)","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Imidazole, benzimidazole (Nongenotox)|Nitro-aromatic (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"No alert found",0,"Nitro-aromatic|Primary aromatic amine,hydroxyl amine and its derived esters",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic|Oxolane|Primary aromatic amine, hydroxyl amine and its derived esters",1,null,0]
["37350-58-6","metoprolol;1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol;2-propanol, 1-[4-(2-methoxyethyl)phenoxy]-3-[(1-methylethyl)amino]-, (.+-.)-;2-propanol, 1-(4-(2-methoxyethyl)phenoxy)-3-((1-methylethyl)amino)-","c1(OCC(O)CNC(C)C)ccc(CCOC)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["38363-32-5","penbutolol sulfate;(s)-bis[di-tert-butyl[3-(2-cyclopentylphenoxy)-2-hydroxypropyl]ammonium] sulphate","c1(OCC(O)CNC(C)(C)C)c(C2CCCC2)cccc1_c1(OCC(O)CNC(C)(C)C)c(C2CCCC2)cccc1_O=S(=O)(O)O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["38641-94-0","glyphosate isopropylamine salt","C(=O)(O)CNCP(=O)(O)O_C(C)(C)N","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","Without S9","Inconclusive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["39007-51-7","1,n6-ethenoadenosine","C12C3=C(N(C4C(O)C(O)C(CO)O4)C=N3)N=CN1C=CN=2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","Without S9","Inconclusive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor|Oxolane",1,null,0]
["40141-02-4","1,1-dimethylhydrazine oxalate","C(=O)(O)C(=O)O_CN(C)N","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found|Nucleophilic addition|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization >> Hydrazine Derivatives|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Hydrazine Derivatives",1,"No alert found",0,"Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Hydrazine",1,"H-acceptor-path3-H-acceptor|Hydrazine",1,null,0]
["41044-12-6","coumarin 30;7-(diethylamino)-3-(1-methyl-1h-benzimidazol-2-yl)-2-benzopyrone;2h-1-benzopyran-2-one, 7-(diethylamino)-3-(1-methyl-1h-benzimidazol-2-yl)-;7-(diethylamino)-3-(1-methyl-1h-benzimidazol-2-yl)-2h-chromen-2-one","C1(=O)C(C2N(C)c3c(cccc3)N=2)=Cc2c(cc(N(CC)CC)cc2)O1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Inconclusive","CCRIS database,Toxnet databases","TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Generation of reactive oxygen species|Radical >> Generation of reactive oxygen species >> Coumarins|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Coumarins",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine",1,"Aromatic mono-and dialkylamine (Genotox)|Coumarins and Furocoumarins (Genotox)|Imidazole, benzimidazole (Nongenotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"No alert found",0,"Aromatic mono-and dialkylamine|Coumarins and Furocoumarins",1,"Aromatic mono- and dialkylamine|Coumarins and Furocoumarins|H-acceptor-path3-H-acceptor",1,null,0]
["41340-36-7","7-ethyl-3-(2-hydroxyethyl)indole;1h-indole-3-ethanol, 7-ethyl-;2-(7-ethyl-1h-indol-3-yl)ethanol","C1(CCO)c2c(c(CC)ccc2)NC=1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["43192-03-6","4-hydroxylamino-2-nitrotoluene;benzenamine, n-hydroxy-4-methyl-3-nitro-","c1(C)c(N(=O)=O)cc(NO)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> N-hydroxylamines|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic N-hydroxylamines|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> N-hydroxylamines|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic|Primary aromatic amine,hydroxyl amine and its derived esters",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic|Primary aromatic amine, hydroxyl amine and its derived esters",1,null,0]
["43210-67-9","fenbendazole;carbamic acid, [5-(phenylthio)-1h-benzimidazol-2-yl]-, methyl ester;methyl [5-(phenylsulfanyl)-1h-benzimidazol-2-yl]carbamate","c12c(cc(Sc3ccccc3)cc1)NC(NC(=O)OC)=N2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Alkyl carbamate and thiocarbamate (Genotox)|Imidazole, benzimidazole (Nongenotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"No alert found",0,"Alkyl carbamate and thiocarbamate",1,"Alkyl carbamate and thiocarbamate|H-acceptor-path3-H-acceptor",1,null,0]
["50648-96-9","n-((2,4-dichlorophenoxy)acetyl)-l-alanine; l-alanine, n-((2,4-dichlorophenoxy)acetyl)-;l-alanine, n-((2,4-dichlorophenoxy)acetyl)-;50648-96-9","c1(OCC(=O)NC(C)C(=O)O)c(Cl)cc(Cl)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Inconclusive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["50700-49-7","n-acetyl-p-benzoquinone;acetimidoquinone;acetamide, n-(4-oxo-2,5-cyclohexadien-1-ylidene)-","C1(=O)C=CC(=NC(C)=O)C=C1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Moderate Quality","NO","Romualdo Benigni","Without S9","Inconclusive","CCRIS database,Toxnet databases","TA 102","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinoneimine Derivatives|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Specific Imine and Thione Derivatives|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Quinoneimine Derivatives|SN2|SN2 >> Diazonium ion formation|SN2 >> Diazonium ion formation >> Specific Imine and Thione Derivatives",1,"Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated ketones",1,"alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinoneimine Derivatives|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Specific Imine and Thione Derivatives|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Quinoneimine Derivatives|SN2|SN2 >> Diazonium ion formation|SN2 >> Diazonium ion formation >> Specific Imine and Thione Derivatives",1,"alpha,beta-unsaturated carbonyls",1,"alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor",1,null,0]
["51568-18-4","succinylacetone;174804 heptanoic acid, 4,6-dioxo-;heptanoic acid, 4,6-dioxo-","C(C)(=O)CC(=O)CCC(=O)O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["52146-86-8","2,4-dinitrotoluene-5-sulfonic acid","c1(S(=O)(=O)O)c(N(=O)=O)cc(N(=O)=O)c(C)c1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["53403-69-3","cis-potassium dichlorodinitroplatinate(ii)",null,"Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","(N/A)",1,"(N/A)",1,"(N/A)",1,"(N/A)",1,"(N/A)",1,"(N/A)",1,null,0]
["53570-72-2","alkylate 225",null,"Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","(N/A)",1,"(N/A)",1,"(N/A)",1,"(N/A)",1,"(N/A)",1,"(N/A)",1,null,0]
["53956-04-0","glycyrrhizic acid, monoammonium salt;ammonium glycyrrhizate;.alpha.-d-glucopyranosiduronic acid, (3.beta.,20.beta.)-20-carboxy-11-oxo-30-norolean-12-en-3-yl 2-o-.beta.-d-glucopyranuronosyl-, monoammonium salt","C12C(C)(C3(C)C(C4(C)C(C(C)(C)C(OC5C(OC6C(O)C(O)C(O)C(C(=O)O)O6)C(O)C(O)C(C(=O)O)O5)CC4)CC3)C(=O)C=1)CCC1(C)C2CC(C)(C(=O)O)CC1_N","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"alpha,beta-unsaturated carbonyls (Genotox)|No alert found|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"alpha,beta-unsaturated carbonyls|No alert found",1,"alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor|No alert found",1,null,0]
["54150-69-5","2,4-dimethoxyaniline hydrochloride","c1(N)c(OC)cc(OC)cc1_Cl{-}_R","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"No alert found|SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"1,3-dialkoxy-benzene|H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters",1,null,0]
["54965-24-1","tamoxifen citrate","c1(C(c2ccc(OCCN(C)C)cc2)=C(c2ccccc2)CC)ccccc1_C(=O)(O)C(O)(CC(=O)O)CC(=O)O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found|SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["55706-57-5","6-methyl-8-quinolinecarboxylic acid","C(=O)(O)c1c2c(cc(C)c1)cccn2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["55804-66-5","coumarin 504;ethyl 2,3,6,7-tetrahydro-11-oxo-1h,5h,11h-[1]benzopyrano[6,7,8-ij]quinolizine-10-carboxylate;1h,5h,11h-[1]benzopyrano[6,7,8-ij]quinolizine-10-carboxylic acid, 2,3,6,7-tetrahydro-11-oxo-, ethyl ester;ethyl 11-oxo-2,3,6,7-tetrahydro-1h,5h,11h-pyrano[2,3-f]pyrido[3,2,1-ij]quinoline-10-carboxylate;1h,5h,11h-(1)benzopyrano(6,7,8-ij)quinolizine-10-carboxylic acid, 2,3,6,7-tetrahydro-11-oxo-, ethyl ester","C(=O)(C1C(=O)Oc2c3c4c(cc2C=1)CCCN4CCC3)OCC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Inconclusive","CCRIS database,Toxnet databases","TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Generation of reactive oxygen species|Radical >> Generation of reactive oxygen species >> Coumarins|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Coumarins",1,"No alert found",0,"Coumarins and Furocoumarins (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Coumarins and Furocoumarins",1,"Coumarins and Furocoumarins|H-acceptor-path3-H-acceptor",1,null,0]
["56525-92-9","5-methoxypyrido[2,3-d]pyridazine;5-methoxypyrido(2,3-d)pyridazine","c1(OC)c2c(cnn1)nccc2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["57018-52-7","propylene glycol mon-t-butyl ether;propylene glycol mono-t-butyl ether;propylene glycol mono-t-butylether;2-propanol, 1-(1,1-dimethylethoxy)-;1-tert-butoxypropan-2-ol;propylene glycol tert-butyl ether;propanol, tert-butoxy- (8ci)","C(C)(C)(C)OCC(C)O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["57333-96-7","1alpha,24(r)-dihydroxyvitamin d3;9,10-secocholesta-5,7,10(19)-triene-1,3,24-triol, (1-alpha,3-beta,5z,7e,24r)-;57333-96-7","C1(=CC=C2C3C(C)(C(C(C)CCC(O)C(C)C)CC3)CCC2)C(=C)C(O)CC(O)C1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["57781-14-3","halopredone acetate;2-bromo-6?,9-difluoro-11?,17,21-trihydroxypregna-1,4-diene-3,20-dione 17,21-di(acetate);(6beta,11beta)-2-bromo-6,9-difluoro-11-hydroxy-3,20-dioxopregna-1,4-diene-17,21-diyl diacetate;pregna-1,4-diene-3,20-dione, 17,21-bis(acetyloxy)-2-bromo-6,9-difluoro-11-hydroxy-, (6beta,11beta)-","C(=O)(C1(OC(C)=O)C2(C)C(C3C(F)(C4(C)C(C(F)C3)=CC(=O)C(Br)=C4)C(O)C2)CC1)COC(C)=O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Specific Acetate Esters|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Specific Acetate Esters|SN2|SN2 >> Acylating agents|SN2 >> Acylating agents >> Specific Acetate Esters|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Specific Acetate Esters",1,"No alert found",0,"(Poly) Halogenated Cycloalkanes (Nongenotox)|alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for nongenotoxic carcinogenicity|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives",1,"alpha,beta-unsaturated carbonyls",1,"alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor",1,null,0]
["57905-76-7","4-nitrocarbazole","c12-c3c(cccc3N(=O)=O)Nc1cccc2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons|Nitro-aromatic",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons|Nitro-aromatic",1,null,0]
["59282-34-7","2-tert-butyl-4-methoxy-6-nitrophenol","C(C)(C)(C)c1c(O)c(N(=O)=O)cc(OC)c1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones|SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic",1,null,0]
["60254-83-3","n-(n-(n-glycylglycyl)-l-phenylalanyl)-l-leucine","C(=O)(C(Cc1ccccc1)NC(=O)CNC(=O)CN)NC(C(=O)O)CC(C)C","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["60262-87-5","benzo[a]pyrene-9-glucuronide;benzo(a)pyrene-9-glucuronide","c12c3c4c(c5c(cc4ccc3ccc1)ccc(OC1C(O)C(O)C(O)C(C(=O)O)O1)c5)cc2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","Without S9","Inconclusive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition",1,"Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1,"H-acceptor-path3-H-acceptor|Polycyclic Aromatic Hydrocarbons",1,null,0]
["61551-82-4","6,6'-oxybis(2-naphthalenesulfonic acid), disodium salt","c12c(cc(Oc3cc4c(cc(S(=O)(=O)O{-}.[Na]{+})cc4)cc3)cc1)ccc(S(=O)(=O)O{-}.[Na]{+})c2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"1-phenoxy-benzene|H-acceptor-path3-H-acceptor",1,null,0]
["62450-06-0","3-amino-1,4-dimethyl-5h-pyrido[4,3-b]indole;trp-p-1;tryptophan p1;5h-pyrido(4,3-b)indole, 3-amino-1,4-dimethyl-","c12-c3c(c(C)c(N)nc3C)Nc1cccc2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"No alert found",0,"Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Heterocyclic Polycyclic Aromatic Hydrocarbons|Primary aromatic amine,hydroxyl amine and its derived esters",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons|Primary aromatic amine, hydroxyl amine and its derived esters",1,null,0]
["62683-29-8","granulocyte-colony stimulating factor",null,"Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","(N/A)",1,"(N/A)",1,"(N/A)",1,"(N/A)",1,"(N/A)",1,"(N/A)",1,null,0]
["63358-49-6","aspoxicillan;(2s,5r,6r)-6-((2r)-2-((2r)-2-amino-3-(methylcarbamoyl)propionamido)-2-(p-hydroxyphenyl)acetamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid","C(=O)(C(c1ccc(O)cc1)NC(=O)C(N)CC(=O)NC)NC1C(=O)N2C(C(=O)O)C(C)(C)SC12","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["63550-99-2","rebaudioside c","C(=O)(C1(C)C2C(C)(C3C4(CC(=C)C(OC5C(OC6C(O)C(O)C(O)C(C)O6)C(OC6C(O)C(O)C(O)C(CO)O6)C(O)C(CO)O5)(CC3)C4)CC2)CCC1)OC1C(O)C(O)C(O)C(CO)O1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Inconclusive","CCRIS database,Toxnet databases","TM 677","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["64532-97-4","nonylphenyl diphenyl phosphate;4-nonylphenyl diphenyl phospate;nonylphenyl diphenyl phosphate (npdpp mixed isomers);phosphoric acid, 4-nonylphenyl diphenyl ester","c1(OP(=O)(Oc2ccccc2)Oc2ccccc2)ccc(CCCCCCCCC)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["65089-17-0","2-((4-chloro-6-((2,3-dimethylphenyl)amino)-2-pyrimidinyl)thio)-n-(2-hydroxyethyl)acetamide;4-chloro-6-(2,3-xylidino)-2-pyrimidinylthio(n-beta-hydroxyethyl)acetamide;pirinixil;2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidin-2-yl}thio)-n-(2-hydroxyethyl)acetamide","c1(Nc2cc(Cl)nc(SCC(=O)NCCO)n2)c(C)c(C)ccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Inconclusive","CCRIS database,Toxnet databases","TA 102","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["65271-80-9","mitoxantron","c12C(=O)c3c(C(=O)c1c(NCCNCCO)ccc2NCCNCCO)c(O)ccc3O_Cl{-}_Cl{-}_R_R","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|No alert found|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones|No alert found|Schiff base formers|Schiff base formers >> Chemicals Activated by P450 to Glyoxal |Schiff base formers >> Chemicals Activated by P450 to Glyoxal  >> Ethanolamines (including morpholine)|SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Secondary aromatic amine",1,"Quinones (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|No alert found|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones",1,"Quinones",1,"H-acceptor-path3-H-acceptor|Quinones",1,null,0]
["66291-31-4","3,4-dimethylphenanthrene;phenanthrene, 3,4-dimethyl-","c1(C)c(C)c2c3c(ccc2cc1)cccc3","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1",1,"Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1,null,0]
["66841-93-8","cis-dichloro(3,5-dimethylpyridine)(ethene)platinum","C=C_c1(C)cc(C)cnc1_Cl{-}.[Pt]{2+}.Cl{-}","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Inconclusive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["67019-20-9","n-(2,1-benzisothiazol-3-yl)propanamide","C12C(=C(NC(=O)CC)SN=1)C=CC=C2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["67019-32-3","n-(5,7-dichloro-2,1-benzisothiazol-3-yl)acetamide","C1(Cl)C2C(=C(NC(C)=O)SN=2)C=C(Cl)C=1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives",1,"No alert found",0,"Aromatic N-acyl amine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives",1,"Aromatic N-acyl amine",1,"Aromatic N-acyl amine|H-acceptor-path3-H-acceptor",1,null,0]
["67274-48-0","n-(4-bromophenyl)-n-hydroxyacetamide;acetamide, n-(4-bromophenyl)-n-hydroxy-","c1(Br)ccc(N(O)C(C)=O)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> N-hydroxylamines",1,"No alert found",0,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters",1,null,0]
["68162-38-9","alpha-nitro-5-bromo-2-furanacrylic acid, methyl ester;1-(5-br-2-furyl)-2-no2-2-coome ethylene","C(=O)(C(=CC1=CC=C(Br)O1)N(=O)=O)OC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Moderate Quality","NO","Romualdo Benigni","Without S9","Inconclusive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["68268-44-0","n-(2,1-benzisothiazol-3-yl)-3-chloro-n-(2-methylpropyl)propanamide","C12C(=C(N(C(=O)CCCl)CC(C)C)SN=1)C=CC=C2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines|SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides",1,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aliphatic halogens",1,"Aliphatic halogen|H-acceptor-path3-H-acceptor",1,null,0]
["68515-48-0","diisononyl phthalate;diisononyl phthalate, technical grade;1,2-benzenedicarboxylic acid, di-c8-10-branched alkyl esters, c9-rich;1,2-benzenedicarboxylic acid, di-c8-10-branched alkyl esters, c9 rich;di-isononyl phthalate (dinp1);di-isononyl phthalate","C(=O)(c1c(C(=O)OCCCCCCC(C)C)cccc1)OCCCCCCC(C)C","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Phtalate (or buthyl) diesters and monoesters (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["69304-47-8","(e)-5-(2-bromovinyl)-2'-deoxyuridine;uridine, 5-(2-bromoethenyl)-2'-deoxy-, (e)-","C1(=O)C(C=CBr)=CN(C2CC(O)C(CO)O2)C(=O)N1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"alpha,beta-unsaturated carbonyls (Genotox)|Monohaloalkene (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"alpha,beta-unsaturated carbonyls|Monohaloalkene",1,"alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor|Monohaloalkene|Oxolane",1,null,0]
["70140-82-8","o,o-diisobutyl s-chloromethyl dithiophosphate","C(C)(C)COP(=S)(OCC(C)C)SCCl","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"No alert found",0,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"Aliphatic halogens",1,"Aliphatic halogen",1,null,0]
["70403-80-4","1,2,10-trimethoxydehydroaporphine","c1(OC)c(OC)c2c3c(cc4c2c(c1)CCN4C)ccc(OC)c3","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Inconclusive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine",1,"Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1,"H-acceptor-path3-H-acceptor|Polycyclic Aromatic Hydrocarbons",1,null,0]
["71400-33-4","2,7-dinitrodibenzo-p-dioxin;dibenzo(b,e)(1,4)dioxin, 2,7-dinitro-","c12c(cc(N(=O)=O)cc1)Oc1c(cc(N(=O)=O)cc1)O2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"1-phenoxy-benzene|H-acceptor-path3-H-acceptor|Nitro-aromatic",1,null,0]
["71534-92-4","di-mu-chlorodichlorobis(1,2,4,5-tetrahydro-2,4-dimethylpyrrolo[3,2,1-hi]indole)di(platinum)","c12c3c(ccc1)CC(C)N3C(C)C2_c12c3c(ccc1)CC(C)N3C(C)C2_Cl{-}.[Pt]{2+}.Cl{-}_Cl{-}.[Pt]{2+}.Cl{-}","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Inconclusive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found|SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine",1,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["72755-25-0","senecivernine;21-norsenecionan-11,16-dione, 12-hydroxy-14-methyl-, (12zeta,13zeta)-","C1(=O)C(C)(O)C(C)C(C)C(=C)C(=O)OC2C3C(=CCN3CC2)CO1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Inconclusive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated esters|SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"Pyrrolizidine alkaloids (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["73246-45-4","methyl (s)-2-chloropropionate;methyl-(s)-(-)-2-chloropropionate;(s)-methyl-2-chloropropionate;propanoic acid, 2-chloro-, methyl ester, (2s)-","C(=O)(C(C)Cl)OC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Inconclusive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aliphatic halogens",1,"Aliphatic halogen|H-acceptor-path3-H-acceptor",1,null,0]
["73936-27-3","4'-fluorochalcone oxide;propiophenone, 2,3-epoxy-4'-fluoro-3-phenyl-, trans-","c1(C(=O)C2C(c3ccccc3)O2)ccc(F)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes|SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides",1,"Epoxides and aziridines (Genotox)|Halogenated benzene (Nongenotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Epoxides and aziridines",1,"Epoxides and aziridines|H-acceptor-path3-H-acceptor",1,null,0]
["74877-25-1","benz[a]anthracene-3,4-dione;benz(a)anthracene-3,4-dione","C1(=O)C(=O)c2c(c3c(cc4c(cccc4)c3)cc2)C=C1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Inconclusive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition|Michael addition >> Quinones and Quinone-type Chemicals|Michael addition >> Quinones and Quinone-type Chemicals >> Quinones",1,"Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Polycyclic Aromatic Hydrocarbons",1,"H-acceptor-path3-H-acceptor|Polycyclic Aromatic Hydrocarbons",1,null,0]
["75996-85-9","2-ethoxycarbonylmethyl-1-methylindole-3-carboxylic acid","C(=O)(O)C1c2c(cccc2)N(C)C=1CC(=O)OCC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["76547-98-3","(s)-1-[n2-(1-carboxy-3-phenylpropyl)-l-lysyl]-l-proline","C(=O)(O)C(CCc1ccccc1)NC(C(=O)N1C(C(=O)O)CCC1)CCCCN_O_O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes|No alert found|SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor|No alert found",1,null,0]
["78415-72-2","milrinone;2-methyl-6-oxo-1,6-dihydro-3,4'-bipyridine-5-carbonitrile;(3,4'-bipyridine)-5-carbonitrile, 1,6-dihydro-2-methyl-6-oxo-","C1(=O)C(C#N)=CC(c2ccncc2)=C(C)N1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"alpha,beta-unsaturated carbonyls",1,"alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor",1,null,0]
["79243-67-7","propylmesterolone;17?-hydroxy-1±-methyl-17±-propyl-5±-androstan-3-one;17?-hydroxy-1?-methyl-17?-propyl-5?-androstan-3-one;(1s,5s,8r,9s,10s,13s,14s,17s)-17-hydroxy-1,10,13-trimethyl-17-propylhexadecahydro-3h-cyclopenta[a]phenanthren-3-one (non-preferred name);17beta-hydroxy-1alpha-methyl-17alpha-propyl-5alpha-androstan-3-one","C1(O)(CCC)C2(C)C(C3C(C4(C)C(C)CC(=O)CC4CC3)CC2)CC1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["80734-02-7","lenampicillin hydrochloride","C(=O)(C(N)c1ccccc1)NC1C(=O)N{+}2(.Cl{-})C(C(=O)OCC3C(C)OC(=O)O3)C(C)(C)SC12","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",{"$f":"IF(W6343=\"No alert found\",0,1)","v":0},"Acylation|Acylation >> P450 Mediated Activation to Isocyanates or Isothiocyanates|Acylation >> P450 Mediated Activation to Isocyanates or Isothiocyanates >> Benzylamines-Acylation|Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["81760-45-4","kahweol palmitate;hexadecanoic acid, (3b,4,5,6,7,8,9,10,10a,10b-decahydro-7-hydroxy-10b-methyl-5a,8-methano-5ah-cyclohepta(5,6)naphtho(2,1-b)furan-7-yl)methyl ester, (3bs-(3balpha,5abeta,7beta,8beta,10aalpha,10bbeta))-","C12=C(C3C(C)(C4C5(CC(O)(COC(=O)CCCCCCCCCCCCCCC)C(CC4)C5)CC3)C=C1)C=CO2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Inconclusive","CCRIS database,Toxnet databases","TM 677","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation of Heterocyclic Ring Systems|Michael addition >> P450 Mediated Activation of Heterocyclic Ring Systems >> Furans",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["82298-37-1","benzo[a]pyrene-7-glucuronide;benzo(a)pyrene-7-glucuronide","c1(OC2C(O)C(O)C(O)C(C(=O)O)O2)c2c(c3c4c5c(ccc4c2)cccc5cc3)ccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","Without S9","Inconclusive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"No alert found",0,"Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1,"H-acceptor-path3-H-acceptor|Polycyclic Aromatic Hydrocarbons",1,null,0]
["82856-97-1","4-amino-3-nitro-6-isopropylaniline;1,4-benzenediamine, 2-(1-methylethyl)-5-nitro-","c1(N)c(C(C)C)cc(N)c(N(=O)=O)c1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Nitro-aromatic (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic|Primary aromatic amine,hydroxyl amine and its derived esters",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic|Primary aromatic amine, hydroxyl amine and its derived esters",1,null,0]
["83473-93-2","sa 738;sa-738","c1(O)c(C2N(C(=O)CCSC)C(C(=O)O)CS2)cccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","Without S9","Inconclusive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["84030-17-1","7-hydroxy-8-[(4-sulfophenyl)azo]-1,3-naphthalenedisulfonic acid, trisodium;trisodium 7-hydroxy-8-[(4-sulphonatophenyl)azo]naphthalene-1,3-disulphonate","C1(=O)C(=NNc2ccc(S(=O)(=O)O{-}.[Na]{+})cc2)c2c(C=C1)cc(S(=O)(=O)O{-}.[Na]{+})cc2S(=O)(=O)O{-}.[Na]{+}","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Hydrazine",1,"H-acceptor-path3-H-acceptor|Hydrazine",1,null,0]
["84616-99-9","blancorol ac",null,"Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","NO","Romualdo Benigni","Without S9","Inconclusive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","(N/A)",1,"(N/A)",1,"(N/A)",1,"(N/A)",1,"(N/A)",1,"(N/A)",1,null,0]
["84617-36-7","tannesco hn",null,"Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","NO","Romualdo Benigni","Without S9","Inconclusive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","(N/A)",1,"(N/A)",1,"(N/A)",1,"(N/A)",1,"(N/A)",1,"(N/A)",1,null,0]
["85060-03-3","2-nitro-1-butanol nitronate",null,"Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","(N/A)",1,"(N/A)",1,"(N/A)",1,"(N/A)",1,"(N/A)",1,"(N/A)",1,null,0]
["86247-86-1","denitronipradilol;2h-1-benzopyran-3-ol, 3,4-dihydro-8-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-","c1(OCC(O)CNC(C)C)c2c(ccc1)CC(O)CO2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["86711-50-4","4-phenoxychalcone oxide","c1(C(=O)C2C(c3ccc(Oc4ccccc4)cc3)O2)ccccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides",1,"Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Epoxides and aziridines",1,"1-phenoxy-benzene|Epoxides and aziridines|H-acceptor-path3-H-acceptor",1,null,0]
["87261-28-7","7-nitrobenz[a]anthracene-trans-3,4-dihydrodiol;7-nitrobenz(a)anthracene-trans-3,4-dihydrodiol","c12c(c(N(=O)=O)c3c(c4c(C(O)C(O)C=C4)cc3)c1)cccc2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition|SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic|Polycyclic Aromatic Hydrocarbons",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic|Polycyclic Aromatic Hydrocarbons",1,null,0]
["88381-44-6","n-nitrosothiazolidine-4-carboxylic acid;4-thiazolidinecarboxylic acid, 3-nitroso-","C(=O)(O)C1CSCN1N=O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2",1,"Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"Alkyl and aryl N-nitroso groups",1,"Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor",1,null,0]
["88385-81-3","neosugar",null,"Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","(N/A)",1,"(N/A)",1,"(N/A)",1,"(N/A)",1,"(N/A)",1,"(N/A)",1,null,0]
["89786-04-9","ytr 830 h;4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3-methyl-7-oxo-3-(1h-1,2,3-triazol-1-ylmethyl)-, 4,4-dioxide, (2s,3s,5r)-;tazobactam;(2s,3s,5r)-3-methyl-7-oxo-3-(1h-1,2,3-triazol-1-ylmethyl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 4,4-dioxide;4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3-methyl-7-oxo-3-(1h-1,2,3-triazol-1-ylmethyl)-, 4,4-dioxide, (2s-(2alpha,3beta,5alpha))-","C(=O)(O)C1C(C)(CN2C=CN=N2)S(=O)(=O)C2CC(=O)N12","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["90098-04-7","(+/-)-2-(4-chlorobenzoylamino)-3-(2(1h)-quinolinon-4-yl)-propionic acid;4-quinolinepropanoic acid, 1,2-dihydro-alpha-((4-chlorobenzoyl)amino)-2-oxo-, (+-)-","C1(CC(C(=O)O)NC(=O)c2ccc(Cl)cc2)c2c(cccc2)NC(=O)C=1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["90803-92-2","thymomodulin",null,"Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","(N/A)",1,"(N/A)",1,"(N/A)",1,"(N/A)",1,"(N/A)",1,"(N/A)",1,null,0]
["91598-91-3","1-acetamidopyren-6-ol;acetamide, n-(6-hydroxy-1-pyrenyl)-","c1(O)c2c3c4c(c(NC(C)=O)ccc4cc2)ccc3cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 98(1,8-DNP6)","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"No alert found",0,"Aromatic N-acyl amine (Genotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Aromatic N-acyl amine|Polycyclic Aromatic Hydrocarbons",1,"Aromatic N-acyl amine|H-acceptor-path3-H-acceptor|Polycyclic Aromatic Hydrocarbons",1,null,0]
["91991-21-8","n-(5-chloro-2,1-benzisothiazol-3-yl)butanamide","C12C(=C(NC(=O)CCC)SN=1)C=C(Cl)C=C2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["92130-56-8","3,4-dimethyl-3h-imidazo[4,5-f]quinoline;3,4-dimethyl-3h-imidazo(4,5-f)quinoline","c12c(c3c(c(C)c1)N(C)C=N3)cccn2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Imidazole, benzimidazole (Nongenotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"No alert found",0,"Heterocyclic Polycyclic Aromatic Hydrocarbons",1,"H-acceptor-path3-H-acceptor|Heterocyclic Polycyclic Aromatic Hydrocarbons",1,null,0]
["93943-58-9","lactardial","C1(C=O)=C(CC(C)C2=CCC(C)(C)C2)C(O)OC1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","Without S9","Inconclusive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Simple aldehyde (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Simple aldehyde",1,"H-acceptor-path3-H-acceptor|Simple aldehyde",1,null,0]
["93957-55-2","fluvastatin sodium;sodium;(e)-(3r,5s)-7-[3-(4-fluoro-phenyl)-1-isopropyl-1h-indol-2-yl]-3,5-dihydroxy-hept-6-enoate","c1(C2c3c(cccc3)N(C(C)C)C=2C=CC(O)CC(O)CC(=O)O{-}.[Na]{+})ccc(F)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",{"$f":"IF(W6471=\"No alert found\",0,1)","v":0},"No alert found",0,"Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["94820-09-4","cadexomer iodine",null,"Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","(N/A)",1,"(N/A)",1,"(N/A)",1,"(N/A)",1,"(N/A)",1,"(N/A)",1,null,0]
["95186-19-9","sc-36741","C12C(CCO)=C(c3ccccc3)N=C(N)N1N=CN=2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"No alert found",0,"Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Hydrazine",1,"H-acceptor-path3-H-acceptor|Hydrazine",1,null,0]
["96014-36-7","4-nitro-3-aminocarbazole;9h-carbazol-3-amine, 4-nitro-","c12-c3c(N(=O)=O)c(N)ccc3Nc1cccc2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons|Primary aromatic amine,hydroxyl amine and its derived esters",1,"H-acceptor-path3-H-acceptor|Heterocyclic Polycyclic Aromatic Hydrocarbons|Primary aromatic amine, hydroxyl amine and its derived esters",1,null,0]
["96687-77-3","sa 687;sa-687","c1(O)c(C2N(C(=O)CCSSCCC(=O)N3C(c4c(O)cccc4)SCC3C(=O)O)C(C(=O)O)CS2)cccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","Without S9","Inconclusive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["97629-28-2","4-amino-3-nitro-5,6-dimethylaniline;1,4-benzenediamine, 2,3-dimethyl-5-nitro-","c1(N)c(C)c(C)c(N)c(N(=O)=O)c1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic",1,null,0]
["97851-13-3","4,2'-dihydroxy-3,3'-dinitrobiphenyl","c1(-c2c(O)c(N(=O)=O)ccc2)cc(N(=O)=O)c(O)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Inconclusive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|o-phenylphenol (Nongenotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"No alert found",0,"Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic",1,null,0]
["98447-35-9","n-(6-chloro-2,1-benzisothiazol-3-yl)-2-methylpropanamide","C12C(=C(NC(=O)C(C)C)SN=1)C=CC(Cl)=C2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Inconclusive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["98451-51-5","2-amino-6-nitrobenzyl alcohol;benzyl alcohol, 2-amino-6-nitro-","c1(N)c(CO)c(N(=O)=O)ccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Nitro-aromatic (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic|Primary aromatic amine,hydroxyl amine and its derived esters",1,"Nitro-aromatic|Primary aromatic amine, hydroxyl amine and its derived esters",1,null,0]
["99400-70-1","ipo 2435",null,"Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","(N/A)",1,"(N/A)",1,"(N/A)",1,"(N/A)",1,"(N/A)",1,"(N/A)",1,null,0]
["99400-73-4","ipo 2507",null,"Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","(N/A)",1,"(N/A)",1,"(N/A)",1,"(N/A)",1,"(N/A)",1,"(N/A)",1,null,0]
["99523-61-2","n-(5-methyl-2,1-benzisothiazol-3-yl)butanamide","C12C(=C(NC(=O)CCC)SN=1)C=C(C)C=C2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Inconclusive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["100288-36-6","piperdial","C1(C=O)C(C=O)C(O)C2C(C(C)C=1)CC(C)(C)C2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","Without S9","Inconclusive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated aldehydes|Schiff base formers|Schiff base formers >> Direct Acting Schiff Base Formers|Schiff base formers >> Direct Acting Schiff Base Formers >> Mono aldehydes",1,"Simple aldehyde (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Simple aldehyde",1,"H-acceptor-path3-H-acceptor|Simple aldehyde",1,null,0]
["100986-86-5","dr 3354","C(=O)(O)C1C(=O)c2c3c(c(N4CCN(C)CC4)c(F)c2)OCC(C)N3C=1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["101489-26-3","dihydrosterigmatin","c12C(=O)c3c(O)c4c(cc3Oc1cccc2O)OC1C4CCO1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Inconclusive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"1-phenoxy-benzene|H-acceptor-path3-H-acceptor|Oxolane",1,null,0]
["102421-85-2","anti-(+/-)-1,2,3,4-tetrahydrodibenz[a,h]acridine-3,4-diol-1,2-epoxide;anti-(+-)-1,2,3,4-tetrahydrodibenz(a,h)acridine-3,4-diol-1,2-epoxide","c12c(c3c(C(O)C(O)C4C3O4)cc1)cc1c(c3c(cccc3)cc1)n2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Inconclusive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1|SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides",1,"Epoxides and aziridines (Genotox)|Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Epoxides and aziridines|Heterocyclic Polycyclic Aromatic Hydrocarbons",1,"Epoxides and aziridines|H-acceptor-path3-H-acceptor|Heterocyclic Polycyclic Aromatic Hydrocarbons",1,null,0]
["102859-52-9","4-nitrocyclopenta[c,d]pyrene;cyclopenta(cd)pyrene, 4-nitro-","C1(N(=O)=O)c2c3c4c5c(ccc4ccc3C=1)cccc5c2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"No alert found",0,"Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1,null,0]
["103630-35-9","curcusone c","C1(C)(O)C(=O)C2=C(C(=O)C(C)=CC3C(C(=C)C)CCC(=C)C23)C1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated ketones",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["103775-75-3","dwa2114r","C1(=O)C2(C(=O)O{-}.[Pt]{2+}.O{-}1)CCC2_C1(CN)CCCN1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["104789-46-0","cloturin;carbamothioic acid, (2-chloroethyl)-, s-1h-purin-6-yl ester","c1(SC(=O)NCCCl)c2c(N=CN2)ncn1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Nitrogen Mustards",1,"SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> Mustards",1,"Imidazole, benzimidazole (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["105708-73-4","6-acetoxymethylanthanthrene","c12c3c(c(COC(C)=O)c4c5c6c(cc(c35)cc1)cccc6cc4)ccc2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Specific Acetate Esters|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN1 >> Carbenium ion formation >> Specific Acetate Esters|SN2|SN2 >> Acylating agents|SN2 >> Acylating agents >> Specific Acetate Esters|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Specific Acetate Esters",1,"No alert found",0,"Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Specific Acetate Esters|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN1 >> Carbenium ion formation >> Specific Acetate Esters|SN2|SN2 >> Acylating agents|SN2 >> Acylating agents >> Specific Acetate Esters|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Specific Acetate Esters",1,"Polycyclic Aromatic Hydrocarbons",1,"H-acceptor-path3-H-acceptor|Polycyclic Aromatic Hydrocarbons",1,null,0]
["106671-91-4","6-(4-chlorophenyl)-5-nitrosoimidazo[2,1-b]thiazole","c1(C2=C(N=O)N3C(=N2)SC=C3)ccc(Cl)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Unsaturated heterocyclic nitroso",1,"Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["106871-13-0","[[3-[bis(2-chloroethyl)amino]-4-methylphenyl]hydroxymethylene]bisphosphonic;phosphonic acid, ((3-(bis(2-chloroethyl)amino)-4-methylphenyl)hydroxymethylene)bis-","C(O)(c1cc(N(CCCl)CCCl)c(C)cc1)(P(=O)(O)O)P(=O)(O)O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Nitrogen Mustards",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine|SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> Mustards",1,"S or N mustard (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"S or N mustard",1,"H-acceptor-path3-H-acceptor|S or N mustard",1,null,0]
["107817-59-4","s-3-chloropropenylcysteine","C(=O)(O)C(N)CSC=CCCl","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","Without S9","Inconclusive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups",1,"SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides",1,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups",1,"Aliphatic halogens",1,"Aliphatic halogen|H-acceptor-path3-H-acceptor",1,null,0]
["107991-54-8","prisma universal bond",null,"Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","NO","Romualdo Benigni","Without S9","Inconclusive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","(N/A)",1,"(N/A)",1,"(N/A)",1,"(N/A)",1,"(N/A)",1,"(N/A)",1,null,0]
["109237-00-5","stizophyllin;pregna-4,7,16-trien-20-one, 2-alpha,3-beta,12-beta-trihydroxy-","C(C)(=O)C1C2(C)C(C3C(C4(C)C(=CC(O)C(O)C4)CC=3)CC2O)CC=1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Inconclusive","CCRIS database,Toxnet databases","TM 677","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated ketones",1,"alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"alpha,beta-unsaturated carbonyls",1,"alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor",1,null,0]
["110011-84-2","monomagnesium di-l-glutamate","C(=O)(O)C(N)CCC(=O)O_C1(=O)C(N)CCC(=O)O{-}.[Mg]{2+}.O{-}1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 94","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["110134-07-1","(cu,cu)bis(1,2-dihydro-1,5-dimethyl-2-phenyl-3h-pyrazol-3-one-0)tetrakis-(mu-(phenoxyacetato-o(1):o(",null,"Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","NO","Romualdo Benigni","With S9","Inconclusive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","(N/A)",1,"(N/A)",1,"(N/A)",1,"(N/A)",1,"(N/A)",1,"(N/A)",1,null,0]
["110783-84-1","4-amino-2,6-dimethoxyaniline","c1(OC)c(N)c(OC)cc(N)c1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"1,3-dialkoxy-benzene|H-acceptor-path3-H-acceptor",1,null,0]
["111380-10-0","1-methyl-4-nitro-5-phenylimidazole","c1(C2=C(N(=O)=O)N=CN2C)ccccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Inconclusive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Unsaturated heterocyclic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic",1,null,0]
["111712-48-2","tris(3-methyl-2,3-dibromobutyl)phosphate","C(C)(C)(Br)C(Br)COP(=O)(OCC(Br)C(C)(C)Br)OCC(Br)C(C)(C)Br","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Inconclusive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation >> Vicinal Dihaloalkanes|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"No alert found",0,"No alert found",0,"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["111955-23-8","n-p-nitrophenyl-l-arabinosylamine triacetate",null,"Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","NO","Romualdo Benigni","Without S9","Inconclusive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","(N/A)",1,"(N/A)",1,"(N/A)",1,"(N/A)",1,"(N/A)",1,"(N/A)",1,null,0]
["112077-92-6","n-acetoxy-n-acetyl-o-toluidine","c1(N(C(C)=O)OC(C)=O)c(C)cccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> SN2 at Nitrogen Atom|SN2 >> SN2 at Nitrogen Atom >> N-acetoxyamines",1,"No alert found",0,"No alert found",0,"SN2|SN2 >> SN2 at Nitrogen Atom|SN2 >> SN2 at Nitrogen Atom >> N-acetoxyamines",1,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["113698-18-3","3-methoxy-6-methyl-8,9,10,11-tetrahydro-1h-indolo[3,2-c]quinoline-1,4,(7h)-dione;1h-indolo(3,2-c)quinoline-1,4(7h)-dione, 8,9,10,11-tetrahydro-3-methoxy-6-methyl-","C1(OC)C(=O)c2c(C(=O)C=1)c1c(C3=C(CCCC3)N1)c(C)n2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> Quinones and Quinone-type Chemicals|Michael addition >> Quinones and Quinone-type Chemicals >> Quinones",1,"alpha,beta-unsaturated carbonyls (Genotox)|Quinones (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"alpha,beta-unsaturated carbonyls|Quinones",1,"alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor|Quinones",1,null,0]
["114899-77-3","ecteinascidin;spiro(6,16-(epithiopropanoxymethano)-7,13-imino-12h-1,3-dioxolo(7,8)isoquino(3,2,-b)(3)benzazocine-20,1'(2'h)-isoquinolin)-19-one, 3',4',6,6a,7,13,14,16-octahydro-5-(acetyloxy)-6',8,14-trihydroxy-7',9-dimethoxy-4,10,23-trimethyl-, (6r-(6-alpha,6a-beta,7-b","C1(=O)C2(c3c(cc(O)c(OC)c3)CCN2)CSC2c3c(OC(C)=O)c(C)c4c(c3C(CO1)N1C(O)C3Cc5c(c(O)c(OC)c(C)c5)C(C21)N3C)OCO4","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Specific Acetate Esters|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Specific Acetate Esters|SN2|SN2 >> Acylating agents|SN2 >> Acylating agents >> Specific Acetate Esters|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Specific Acetate Esters",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones|SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"1,3-Benzodioxoles (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"1,3-dialkoxy-benzene|H-acceptor-path3-H-acceptor",1,null,0]
["115084-48-5","2-amino-5-[(4-amino-3-chlorophenyl)methyl]-3-chlorophenol;2-amino-5-((4-amino-3-chlorophenyl)methyl)-3-chlorophenol","c1(Cl)c(N)c(O)cc(Cc2cc(Cl)c(N)cc2)c1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Inconclusive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters",1,null,0]
["115781-42-5","n2-(beta-1-glucosiduronyl)-2-amino-3,8-dimethylimidazo[4,5-f]quinoxaline;n2-(beta-1-glucosiduronyl)-2-amino-3,8-dimethylimidazo(4,5-f)quinoxaline","c12c(c3c(cc1)N(C)C(NC1C(O)C(O)C(O)C(C(=O)O)O1)=N3)nc(C)cn2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Inconclusive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Secondary (unsaturated) heterocyclic amine",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Imidazole, benzimidazole (Nongenotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"No alert found",0,"Heterocyclic Polycyclic Aromatic Hydrocarbons",1,"H-acceptor-path3-H-acceptor|Heterocyclic Polycyclic Aromatic Hydrocarbons",1,null,0]
["118326-94-6","(4abeta,9beta,10beta)-6-methoxy-9,10-epoxy-trans-1,2,3,4,4a,9,10,10a-octahydrophenanthrene","c12c(C3C(C4C1CCCC4)O3)ccc(OC)c2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","Without S9","Inconclusive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides",1,"Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Epoxides and aziridines",1,"Epoxides and aziridines",1,null,0]
["118354-50-0","(4abeta,9alpha,10alpha)-6-methoxy-9,10-epoxy-trans-1,2,3,4,4a,9,10,10a-octahydrophenanthrene","c12c(C3C(C4C1CCCC4)O3)ccc(OC)c2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","Without S9","Inconclusive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides",1,"Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Epoxides and aziridines",1,"Epoxides and aziridines",1,null,0]
["119301-53-0","1,2-dimethylhydrazine oxalate","C(=O)(O)C(=O)O_CNNC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Inconclusive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Hydrazine",1,"H-acceptor-path3-H-acceptor|Hydrazine",1,null,0]
["119584-53-1","rastim 30 dkv;3(2h)-benzothiazoleacetic acid, 2-oxo-, phenylmethyl ester","c12c(cccc1)N(CC(=O)OCc1ccccc1)C(=O)S2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["120812-49-9","1,8-dinitrobenzo[e]pyrene;1,8-dinitrobenzo(e)pyrene","c1(N(=O)=O)c2c3c(c4c5c(ccc(c25)cc1)ccc4N(=O)=O)cccc3","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Inconclusive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition|SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Nitro-aromatic|Polycyclic Aromatic Hydrocarbons",1,"Nitro-aromatic|Polycyclic Aromatic Hydrocarbons",1,null,0]
["121843-90-1","acetylisomerulidial","C12(C)C(C=O)(C(C=O)=C3C(C1OC(C)=O)CC(C)(C)C3)C2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","Without S9","Inconclusive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Specific Acetate Esters|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Specific Acetate Esters|SN2|SN2 >> Acylating agents|SN2 >> Acylating agents >> Specific Acetate Esters|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Specific Acetate Esters",1,"Schiff base formers|Schiff base formers >> Direct Acting Schiff Base Formers|Schiff base formers >> Direct Acting Schiff Base Formers >> Mono aldehydes",1,"Simple aldehyde (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Simple aldehyde",1,"H-acceptor-path3-H-acceptor|Simple aldehyde",1,null,0]
["122365-34-8","9-benzhydryladenine","c1(N)c2c(N(C(c3ccccc3)c3ccccc3)C=N2)ncn1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes",1,"Imidazole, benzimidazole (Nongenotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"No alert found",0,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters",1,null,0]
["122587-23-9","methyl 3,4-dichloro-5-amino-2-furoate","C(=O)(C1=C(Cl)C(Cl)=C(N(=O)=O)O1)OC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Inconclusive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Unsaturated heterocyclic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives",1,"Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic",1,null,0]
["124594-15-6","nickel sulfamate (4 hydrate)",null,"Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","(N/A)",1,"(N/A)",1,"(N/A)",1,"(N/A)",1,"(N/A)",1,"(N/A)",1,null,0]
["125276-71-3","syn-(+/-)-dibenz[a,h]acridine-3,4-diol-1,2-epoxide","C12C(C3C(C(=O)C(O)=C4C=3O4)=CC=1)=Cc1c(c3c(cccc3)cc1)N2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","With S9","Inconclusive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinone methides|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Quinone methides|SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated ketones",1,"Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinone methides|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Quinone methides|SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Epoxides and aziridines",1,"Epoxides and aziridines|H-acceptor-path3-H-acceptor",1,null,0]
["126572-78-9","(z)-2-chloro-3-(dichloromethyl)-4-hydroxybut-2-enoic acid;2-butenoic acid, 2-chloro-3-(dichloromethyl)-4-hydroxy-, (z)-","C(=O)(O)C(Cl)=C(C(Cl)Cl)CO","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives",1,"No alert found",0,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives",1,"Aliphatic halogens",1,"Aliphatic halogen|H-acceptor-path3-H-acceptor",1,null,0]
["127045-41-4","t-3761;(-)-(3s)-10-(1-aminocyclopropyl)-9-fluoro-2,3-dihydro-3-methyl-7-oxo-7h-pyrido(1,2,3-de)-1,4-benzoxazine-6-carboxylic acid","C(=O)(O)C1C(=O)c2c3c(c(C4(N)CC4)c(F)c2)OCC(C)N3C=1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["127750-23-6","6-amino-3-[[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]azo]-2-methoxyphenyl]azo]-4-hydroxy-2-naphthalene","C1(S(=O)(=O)O{-}.[Na]{+})C(=NNc2c(OC)cc(N=Nc3ccc(N(CCO)CCO)cc3)cc2)C(=O)c2c(ccc(N)c2)C=1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Specific Imine and Thione Derivatives|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN2|SN2 >> Diazonium ion formation|SN2 >> Diazonium ion formation >> Specific Imine and Thione Derivatives",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic azo|SN1 >> Nitrenium Ion formation >> Primary aromatic amine|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine",1,"Aromatic diazo (Genotox)|Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Specific Imine and Thione Derivatives|SN2|SN2 >> Diazonium ion formation|SN2 >> Diazonium ion formation >> Specific Imine and Thione Derivatives",1,"Aromatic diazo|Hydrazine",1,"Aromatic diazo|H-acceptor-path3-H-acceptor|Hydrazine",1,null,0]
["128350-04-9","2,6-bis(4-fluorophenyl)-4-methyl-5-phenyl-2-heptenedinitrile","C(#N)C(c1ccc(F)cc1)=CC(C)C(c1ccccc1)C(c1ccc(F)cc1)C#N","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Inconclusive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes",1,"Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["128946-65-6","trans-4-hydroxy-2-nonenal;hononena4","C(=O)C=CC(O)CCCCC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Inconclusive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Michael addition|Michael addition >> alpha, beta-unsaturated carabonyl compounds|Michael addition >> alpha, beta-unsaturated carabonyl compounds >> Alpha, Beta-Unsaturated Aldehydes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Alpha, Beta-Unsaturated Aldehydes",1,"Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated aldehydes",1,"alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Michael addition|Michael addition >> alpha, beta-unsaturated carabonyl compounds|Michael addition >> alpha, beta-unsaturated carabonyl compounds >> Alpha, Beta-Unsaturated Aldehydes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Alpha, Beta-Unsaturated Aldehydes",1,"alpha,beta-unsaturated carbonyls",1,"alpha,beta-unsaturated carbonyls",1,null,0]
["129401-88-3","n-acryloyl-n'-phenylpiperazine;piperazine, 1-(1-oxo-2-propenyl)-4-phenyl-","C(=O)(C=C)N1CCN(c2ccccc2)CC1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated amides|SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine",1,"alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"alpha,beta-unsaturated carbonyls",1,"alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor",1,null,0]
["130005-62-8","1,4-dimethyl-6-hydroxy-3-aminocarbazole;9h-carbazol-3-ol, 6-amino-5,8-dimethyl-","c12-c3c(c(C)cc(N)c3C)Nc1ccc(O)c2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Heterocyclic Polycyclic Aromatic Hydrocarbons|Primary aromatic amine,hydroxyl amine and its derived esters",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons|Primary aromatic amine, hydroxyl amine and its derived esters",1,null,0]
["130454-53-4","gluma 3 primer",null,"Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","(N/A)",1,"(N/A)",1,"(N/A)",1,"(N/A)",1,"(N/A)",1,"(N/A)",1,null,0]
["131119-01-2","2-(2-chloroethoxycarbonylmethyl)-1-methylindole-3-carboxylic acid","C(=O)(O)C1c2c(cccc2)N(C)C=1CC(=O)OCCCl","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Heteroatom",1,"SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides",1,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aliphatic halogens",1,"Aliphatic halogen|H-acceptor-path3-H-acceptor",1,null,0]
["131410-50-9","dv-7572","C(=O)(CN(CC(=O)NC)CCN1CC(=O)O{-}.[Ca]{2+}.O{-}C(=O)CN(CC(=O)NC)CC1)O{-}.[Na]{+}","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["132663-51-5","o-nitrobenzyl propionate","c1(N(=O)=O)c(COC(=O)CC)cccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Inconclusive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic",1,null,0]
["133960-22-2","methyl 3,4-diphenyl-n-hydroxy-5-acetylamino-2-furoate","c1(C2C(c3ccccc3)=C(C(=O)OC)OC=2N(O)C(C)=O)ccccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> N-hydroxylamines",1,"No alert found",0,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters",1,null,0]
["134785-76-5","flubendazole oxime;carbamic acid, (5-(4-fluorobenzoyl)-1h-benzimidazol-2-yl)-, methyl ester, oxime","c1(C(c2cc3c(cc2)N=C(NC(=O)OC)N3)=NO)ccc(F)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> N-hydroxylamines",1,"No alert found",0,"Alkyl carbamate and thiocarbamate (Genotox)|Imidazole, benzimidazole (Nongenotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"No alert found",0,"Alkyl carbamate and thiocarbamate",1,"Alkyl carbamate and thiocarbamate|H-acceptor-path3-H-acceptor",1,null,0]
["134998-71-3","mono(2-ethyl-5-hydroxyhexyl) adipate;hexanedioic acid, mono(2-ethyl-5-hydroxyhexyl) ester","C(=O)(O)CCCCC(=O)OCC(CCC(C)O)CC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Phtalate (or buthyl) diesters and monoesters (Nongenotox)|Structural alert for nongenotoxic carcinogenicity|Substituted n-alkylcarboxylic acids (Nongenotox)",1,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["136112-71-5","8,9-bis(p-nitrophenyl)adenine;9h-purin-6-amine, 8,9-bis(4-nitrophenyl)-","C1(c2ccc(N(=O)=O)cc2)N(c2ccc(N(=O)=O)cc2)c2c(c(N)ncn2)N=1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100(1,8-DNP6)","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Imidazole, benzimidazole (Nongenotox)|Nitro-aromatic (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"No alert found",0,"Nitro-aromatic|Primary aromatic amine,hydroxyl amine and its derived esters",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic|Primary aromatic amine, hydroxyl amine and its derived esters",1,null,0]
["136196-46-8","5-(4-iodophenyl)-1-(4-nitrophenyl)-3-phenylformazan","C(c1ccccc1)(N=Nc1ccc(I)cc1)=NNc1ccc(N(=O)=O)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic azo|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Hydrazine (Genotox)|Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Hydrazine|Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Hydrazine|Nitro-aromatic",1,null,0]
["138261-41-3","imidacloprid","c1(Cl)ccc(CN2C(NN(=O)=O)=NCC2)cn1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"Aliphatic N-nitro group (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aliphatic N-nitro group",1,"Aliphatic N-nitro group|H-acceptor-path3-H-acceptor",1,null,0]
["138580-48-0","6-methyl-2-(4-methyl-1-piperidinyl)indolo[3,2-c]quinoline-1,4-dione;1h-indolo(3,2-c)quinoline-1,4(11h)-dione, 6-methyl-2-(4-methyl-1-piperazinyl)-","C1(N2CCN(C)CC2)C(=O)c2c(C(=O)C=1)nc(C)c1-c3c(cccc3)Nc21","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> Quinones and Quinone-type Chemicals|Michael addition >> Quinones and Quinone-type Chemicals >> Quinones|SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Quinones (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Heterocyclic Polycyclic Aromatic Hydrocarbons|Quinones",1,"H-acceptor-path3-H-acceptor|Heterocyclic Polycyclic Aromatic Hydrocarbons|Quinones",1,null,0]
["142044-38-0","(+/-)-cis-5,6-epoxy-5,6-dihydroquinoline n-oxide;(+-)-cis-5,6-epoxy-5,6-dihydroquinoline n-oxide","c12c(C3C(C=C1)O3)cccn2=O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Inconclusive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides",1,"Aromatic ring N-oxide (Genotox)|Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Aromatic ring N-oxide|Epoxides and aziridines",1,"Aromatic ring N-oxide|Epoxides and aziridines",1,null,0]
["142382-11-4","1-(p-carboxyphenyl)-5-cyano-3-oxo-1-pentene","C(=O)(O)c1ccc(C=CC(=O)CCC#N)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["142438-72-0","1,1-dicarbamoyl-1,2-epoxy-2-ethyl-3-hydroxybutane","C(N)(=O)C1(C(N)=O)C(C(C)O)(CC)O1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Inconclusive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"No alert found",0,"Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Epoxides and aziridines",1,"Epoxides and aziridines|H-acceptor-path3-H-acceptor",1,null,0]
["143343-83-3","toborinone;opc-18790;2(1h)-quinolinone, 6-(3-(((3,4-dimethoxyphenyl)methyl)amino)-2-hydroxypropoxy)-, (+-)-;143343-83-3","c12c(C=CC(=O)N1)cc(OCC(O)CNCc1cc(OC)c(OC)cc1)cc2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["143922-99-0","3,3'-diacetylamino-2,2'-dimethylazobenzene","C(C)(=O)c1c(C)c(N=Nc2c(C)c(C(C)=O)ccc2)ccc1N","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic azo|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Aromatic diazo (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Aromatic diazo|Primary aromatic amine,hydroxyl amine and its derived esters",1,"Aromatic diazo|H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters",1,null,0]
["145438-96-6","mononitrosocaffeidine;n,1-dimethyl-4-[methyl(nitroso)amino]-1h-imidazole-5-carboxamide;1h-imidazole-5-carboxamide, n,1-dimethyl-4-(methylnitrosoamino)-","C(=O)(C1=C(N(C)N=O)N=CN1C)NC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2",1,"Alkyl and aryl N-nitroso groups (Genotox)|alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"Alkyl and aryl N-nitroso groups|alpha,beta-unsaturated carbonyls",1,"Alkyl and aryl N-nitroso groups|alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor",1,null,0]
["146724-32-5","2-carbomethoxy-1h-pyrrolo[3,2-h]quinoline;2-carbomethoxy-1h-pyrrolo(3,2-h)quinoline","C(=O)(C1=Cc2c(c3c(cccn3)cc2)N1)OC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Inconclusive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["147318-81-8","kni-272;651714 4-thiazolidinecarboxamide, n-(1,1-dimethylethyl)-3- [2-hydroxy-3-[[2-[[(5-isoquinolinyloxy)acetyl]amino]-3- (methylthio)-1-oxopropyl]amino]-1-;4-thiazolidinecarboxamide, n-(1,1-dimethylethyl)-3-(2-hydroxy-3-((2-(((5-isoquinolinyloxy)acetyl)amino)-3-(methylthio)-1-oxopropyl)amino)-1-oxo-4-phenylbutyl)-, (4r-(3(2s*,3s*(r*)),4r*))-","c1(OCC(=O)NC(C(=O)NC(C(O)C(=O)N2C(C(=O)NC(C)(C)C)CSC2)Cc2ccccc2)CSC)c2c(ccc1)cncc2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes|SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["149127-57-1","2-ethylazo-2-propyl hydroperoxide","C(C)(C)(N=NCC)OO","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Inconclusive","CCRIS database,Toxnet databases","TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Organic Peroxy Compounds",1,"No alert found",0,"Aliphatic azo and azoxy (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Organic Peroxy Compounds",1,"Aliphatic azo and azoxy",1,"Aliphatic azo and azoxy|H-acceptor-path3-H-acceptor",1,null,0]
["150114-71-9","aminopyralid;2-pyridinecarboxylic acid, 4-amino-3,6-dichloro-","C(=O)(O)c1c(Cl)c(N)cc(Cl)n1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters",1,null,0]
["150446-02-9","2-methyl-5-nitro-1-(phenylmethyl)-1h-indole-3-carboxaldehyde,o-((4-chlorophenyl)methyl)oxime;2-methyl-5-nitro-1-(phenylmethyl)-1h-indole-3-carboxaldehyde, o-((4-chlorophenyl)methyl)oxime","C1(C=NOCc2ccc(Cl)cc2)c2c(ccc(N(=O)=O)c2)N(Cc2ccccc2)C=1C","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes|SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Halogenated benzene (Nongenotox)|Nitro-aromatic (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"No alert found",0,"Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic",1,null,0]
["151910-75-7","(3alpha,4beta,12alpha,13beta)-3,4,12,13-tetrahydrodibenz[a,h]anthracene-3,4,12,13-tetrol;trans,trans-3,4:12,13-tetrahydroxy-3,4,12,13-tetrahydro-dibenz(a,h)anthracene","c12-c3c(C(O)C(O)c1cc1c4c(C(O)C(O)C=C4)ccc1c2)cccc3","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Inconclusive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["155164-60-6","4,5-dichloro-2-[(4-chlorophenyl)sulfonyl]-3(2h)-pyridazinone;4,5-dichloro-2-((4-chlorophenyl)sulfonyl)-3(2h)-pyridazinone","C1(=O)C(Cl)=C(Cl)C=NN1S(=O)(=O)c1ccc(Cl)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives",1,"No alert found",0,"alpha,beta-unsaturated carbonyls (Genotox)|Halogenated benzene (Nongenotox)|Hydrazine (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives",1,"alpha,beta-unsaturated carbonyls|Hydrazine",1,"alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor|Hydrazine",1,null,0]
["155164-64-0","4,5-dichloro-2-(1-oxopropyl)-3(2h)-pyridazinone","C1(=O)C(Cl)=C(Cl)C=NN1C(=O)CC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives",1,"No alert found",0,"alpha,beta-unsaturated carbonyls (Genotox)|Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives",1,"alpha,beta-unsaturated carbonyls|Hydrazine",1,"alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor|Hydrazine",1,null,0]
["155506-70-0","vulm 993;3,5-pyridinedicarboxylic acid, 4-(3-chlorophenyl)-1,4-dihydro-2,6-dimethyl-, 1,4-dioxaspiro(4.4)non-2-ylmethyl ethyl ester","C(=O)(C1=C(C)NC(C)=C(C(=O)OCC2COC3(CCCC3)O2)C1c1cc(Cl)ccc1)OCC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["157730-36-4","1-methyl-1h-imidazo[4,5-b][1,6]naphthyridin-2-amine;1h-imidazo(4,5-b)(1,6)naphthyridin-2-amine, 1-methyl-","c12c(cc3c(ccnc3)n1)N(C)C(N)=N2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"No alert found",0,"Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Imidazole, benzimidazole (Nongenotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"No alert found",0,"Heterocyclic Polycyclic Aromatic Hydrocarbons",1,"H-acceptor-path3-H-acceptor|Heterocyclic Polycyclic Aromatic Hydrocarbons",1,null,0]
["158729-23-8","n-(3-chlorophenyl)-8-quinolinesulfonamide","c1(S(=O)(=O)Nc2cc(Cl)ccc2)c2c(cccn2)ccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["159416-83-8","1',5-dimethoxy-3',7-dimethyl-(2,2'-binaphthalene)-1,4,5',8'-tetrol","c1(-c2c(O)c3c(c(OC)cc(C)c3)c(O)c2)c(OC)c2c(c(O)ccc2O)cc1C","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones",1,"o-phenylphenol (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["160543-12-4","7,9-dimethylbenz[c]acridine-5,6-oxide","c12c(c(C)c3c4c(c5c(c3n1)cccc5)O4)cc(C)cc2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition|SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Heterocyclic Polycyclic Aromatic Hydrocarbons",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons",1,null,0]
["161708-24-3","(2e)-2-chloro-3-methyl-2-butenedioic acid","C(=O)(O)C(Cl)=C(C)C(=O)O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Inconclusive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives",1,"No alert found",0,"No alert found",0,"SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives",1,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["163275-62-5","3,6-difluorobenzo[h]quinoline;3,6-difluorobenzo(h)quinoline","c1(F)c2c(c3c(cc(F)cn3)c1)cccc2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Inconclusive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1",1,"Halogenated benzene (Nongenotox)|Halogenated PAH (naphthalenes, biphenyls, diphenyls) (Nongenotox)|Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"No alert found",0,"Heterocyclic Polycyclic Aromatic Hydrocarbons",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons",1,null,0]
["165460-36-6","(oc-6-11)-tris((2,2'-bipyridine)-4,4'-diamine-n(1),n(1'))iron(2+)",null,"Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","(N/A)",1,"(N/A)",1,"(N/A)",1,"(N/A)",1,"(N/A)",1,"(N/A)",1,null,0]
["166546-23-2","n,n-bis(2-chloroethyl)-4-(5-(6-(5-(4-methyl-1-piperaziyl)-1h-benzimidazol-2-yl)hexyl)-1h-benzimidazo;n,n-bis(2-chloroethyl)-4-(5-(6-(5-(4-methyl-1-piperazinyl)-1h-benzimidazol-2-yl)hexyl)-1h-benzimidazol-2-yl)benzenamine","C1(c2ccc(N(CCCl)CCCl)cc2)=Nc2c(cc(CCCCCCC3=Nc4c(cc(N5CCN(C)CC5)cc4)N3)cc2)N1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Inconclusive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Nitrogen Mustards",1,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine|SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> Mustards",1,"Imidazole, benzimidazole (Nongenotox)|S or N mustard (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"No alert found",0,"S or N mustard",1,"H-acceptor-path3-H-acceptor|S or N mustard",1,null,0]
["171870-23-8","lanoteplase",null,"Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","NO","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","(N/A)",1,"(N/A)",1,"(N/A)",1,"(N/A)",1,"(N/A)",1,"(N/A)",1,null,0]
["184582-66-9","2,7-dihydroxy-9-(3'-aminopropyl)thioacridine",null,"Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","NO","Romualdo Benigni","Without S9","Inconclusive","CCRIS database,Toxnet databases","TA 97A","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","(N/A)",1,"(N/A)",1,"(N/A)",1,"(N/A)",1,"(N/A)",1,"(N/A)",1,null,0]
["220413-88-7","bis[bis(2,2'-bipyridine-n,n')(nitrato-kappa",null,"Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","NO","Romualdo Benigni","Without S9","Inconclusive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","(N/A)",1,"(N/A)",1,"(N/A)",1,"(N/A)",1,"(N/A)",1,"(N/A)",1,null,0]
["221657-57-4","(1r*,3s*,3'r*)-1-(2'-pyrrolidinethione-3'-yl)-1,2,3,4-tetrahydro,beta-carboline-3-carboxylic",null,"Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","(N/A)",1,"(N/A)",1,"(N/A)",1,"(N/A)",1,"(N/A)",1,"(N/A)",1,null,0]
["327969-65-3","ethyl (2r)-2-[6-(thienylmethoxy)hexyl]oxirane-2-carboxylate","C(=O)(C1(CCCCCCOCC2=CC=CS2)CO1)OCC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Michael addition|Michael addition >> P450 Mediated Activation of Heterocyclic Ring Systems|Michael addition >> P450 Mediated Activation of Heterocyclic Ring Systems >> Thiophenes-Michael addition|SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides|SN2 >> P450 Mediated Epoxidation|SN2 >> P450 Mediated Epoxidation >> Thiophenes-SN2",1,"Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Epoxides and aziridines",1,"Epoxides and aziridines|H-acceptor-path3-H-acceptor",1,null,0]
["7722-64-7","permanganic acid (hmno4), potassium salt (1:1);potassium permanganate;permanganic acid (hmno4), potassium salt;potassium permanganate [jan];potassium oxido(trioxo)manganese","O=[Mn](=O)(=O)O{-}.K{+}","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","YES","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["633-96-5","c.i. acid orange 7, monosodium salt;orange ii;4-[(2-hydroxy-1-naphthylazo)]benzene sulphonic acid sodium salt;sodium 4-[(2-hydroxy-1-naphthyl)azo]benzenesulphonate;benzenesulfonic acid, 4-[(2-hydroxy-1-naphthalenyl)azo]-, monosodium salt;c.i. acid orange 7;sodium 4-[(2-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonate;acid orange ac.i. acid orange 7, monosodium salt;acid orange;benzenesulfonic acid, 4-Х(2-hydroxy-1-naphthalenyl)azoе-, monosodium salt;4-((2-hydroxy-1-naphthalenyl)azo)-benzenesulfonic acid, monosodium salt;4-[(2-hydroxy-1-naphthylazo)] benzene sulphonic acid sodium salt","c1(O)c(N=Nc2ccc(S(=O)(=O)O{-}.[Na]{+})cc2)c2c(cccc2)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","YES","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",{"$f":"IF(W7047=\"No alert found\",0,1)","v":0},"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic azo",1,"Aromatic diazo (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aromatic diazo",1,"Aromatic diazo|H-acceptor-path3-H-acceptor",1,null,0]
["9000-30-0","guar gum","C1(CO)C(COCC2C(O)C(O)C(OC)C(COC3C(O)C(O)C(O)C(CO)O3)O2)C(O)C(O)C(CC)O1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","YES","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["15012-61-0","trimethoxyechinochrome a","C1(OC)C(=O)c2c(C(=O)C=1CC)c(O)c(OC)c(OC)c2O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","YES","Romualdo Benigni","With S9","Inconclusive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> Quinones and Quinone-type Chemicals|Michael addition >> Quinones and Quinone-type Chemicals >> Quinones",1,"Quinones (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Quinones",1,"H-acceptor-path3-H-acceptor|Quinones",1,null,0]
["37319-17-8","elmiron;xylan, hydrogen sulfate, sodium salt","C1(OC)C(OS(=O)(=O)O)C(OS(=O)(=O)O)C(COCC2C(OS(=O)(=O)O)C(OS(=O)(=O)O)C(OC)CO2)CO1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","YES","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["56362-05-1","butamifos oxon","c1(N(=O)=O)c(OP(=O)(NC(C)CC)OCC)cc(C)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","YES","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic",1,null,0]
["59405-72-0","4'-(n,n-diethylamino)-6-butoxy-1'-phenylazo-3-pyridine","c1(N=Nc2ccc(OCCCC)nc2)ccc(N(CC)CC)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","YES","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic azo|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine",1,"Aromatic diazo (Genotox)|Aromatic mono-and dialkylamine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aromatic diazo|Aromatic mono-and dialkylamine",1,"Aromatic diazo|Aromatic mono- and dialkylamine|H-acceptor-path3-H-acceptor",1,null,0]
["61756-39-6","3-acetyl-2,5-di-tert-cyclopenta-2,4-dienone","C(C)(C)(C)C1C(=O)C(C(C)(C)C)=C(C(C)=O)C=1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","YES","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"alpha,beta-unsaturated carbonyls",1,"alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor",1,null,0]
["73747-10-1","4-(formylhydroxyamino)benzoic acid, ethyl ester","C(=O)(c1ccc(N(O)C=O)cc1)OCC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","YES","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> N-hydroxylamines",1,"No alert found",0,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> N-hydroxylamines",1,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters",1,null,0]
["74006-72-7","cephem;3-phem","C1(=O)CC2N1C=CCS2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","YES","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["88652-48-6","1,3-butanediol with ethanediol montanate","C(=O)(CCCCCCCCCCCCCCCCCCCCCCCCCCC)OCCC(C)O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","YES","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["97483-08-4","toclofos methyl oxon","c1(Cl)c(OP(=O)(OC)OC)c(Cl)cc(C)c1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","YES","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"No alert found",0,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid|H-acceptor-path3-H-acceptor",1,null,0]
["117549-85-6","benzamidoxime o-glucuronide","C(N)(c1ccccc1)=NOC1C(O)C(O)C(O)C(C(=O)O)O1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","Without S9","Inconclusive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["134109-01-6","7-chlorobenz[a]anthracene 5,6-dihydrodiol;7-chlorobenz(a)anthracene 5,6-dihydrodiol","c12-c3c(c(Cl)c4c(cccc4)c3)C(O)C(O)c1cccc2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","YES","Romualdo Benigni","With S9","Inconclusive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Halogenated PAH (naphthalenes, biphenyls, diphenyls) (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["135626-95-8","11-beta-hydroxy-7-deoxyrosenonolactone","C1(=O)C2(C)C3C(C4(C)C(O)CC(C)(C=C)CC4CC3)(CCC2)O1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","YES","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Michael addition|Michael addition >> alpha, beta-unsaturated carabonyl compounds|Michael addition >> alpha, beta-unsaturated carabonyl compounds >> Four- and Five-Membered Lactones|SN2|SN2 >> Ring opening SN2 reaction|SN2 >> Ring opening SN2 reaction >> Four- and Five-Membered Lactones",1,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor|Oxolane",1,null,0]
["138805-31-9","3,3'-(diacetylamino)-4,4'-dimethylazobenzene","c1(C)c(NC(C)=O)cc(N=Nc2cc(NC(C)=O)c(C)cc2)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","YES","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic azo",1,"Aromatic diazo (Genotox)|Aromatic N-acyl amine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aromatic diazo|Aromatic N-acyl amine",1,"Aromatic diazo|Aromatic N-acyl amine|H-acceptor-path3-H-acceptor",1,null,0]
["138805-32-0","5,5'-(diacetylamino)-2,2'-dimethylazoxybenzene","c1(C)c(N=N(=O)c2c(C)ccc(NC(C)=O)c2)cc(NC(C)=O)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","YES","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic azo",1,"Aromatic N-acyl amine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aromatic N-acyl amine",1,"Aromatic N-acyl amine|H-acceptor-path3-H-acceptor",1,null,0]
["138805-33-1","5,5'-(diacetylamino)-2,2'-dimethylazobenzene","c1(C)c(N=Nc2c(C)ccc(NC(C)=O)c2)cc(NC(C)=O)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","YES","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic azo",1,"Aromatic diazo (Genotox)|Aromatic N-acyl amine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aromatic diazo|Aromatic N-acyl amine",1,"Aromatic diazo|Aromatic N-acyl amine|H-acceptor-path3-H-acceptor",1,null,0]
["138914-14-4","2-nitro-1-propanol nitronate","C(C)(CO)N(=O)=O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["139953-79-0","3,5-dihydro-3-(((4-phenoxyphenyl)methylene)amino)-4h-1,2,3-triazino[5,4-b]indol-4-one;3,5-dihydro-3-(((4-phenoxyphenyl)methylene)amino)-4h-1,2,3-triazino(5,4-b)indol-4-one","C12c3c(cccc3)NC=1CN(N=Cc1ccc(Oc3ccccc3)cc1)N=N2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"1-phenoxy-benzene|H-acceptor-path3-H-acceptor",1,null,0]
["141899-13-0","aflatoxin b1 endo-8,9-epoxide","C12(C)C(C)(c3c4c(C5=C(C(=O)CC5)C(=O)O4)c(OC)cc3O1)C1C(O1)O2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","YES","Romualdo Benigni","Without S9","Inconclusive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Generation of reactive oxygen species|Radical >> Generation of reactive oxygen species >> Coumarins|SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Coumarins",1,"SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides",1,"Coumarins and Furocoumarins (Genotox)|Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Coumarins and Furocoumarins|Epoxides and aziridines",1,"1,3-dialkoxy-benzene|Coumarins and Furocoumarins|Epoxides and aziridines|H-acceptor-path3-H-acceptor|Oxolane",1,null,0]
["142438-60-6","4,5-dimethyl-3,4-epoxy-3-(methoxycarbonyl)-gamma-butyrolactone","C(=O)(C12C(C)(C(C)OC1=O)O2)OC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","YES","Romualdo Benigni","With S9","Equivocal","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Michael addition|Michael addition >> alpha, beta-unsaturated carabonyl compounds|Michael addition >> alpha, beta-unsaturated carabonyl compounds >> Four- and Five-Membered Lactones|SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines|SN2 >> Ring opening SN2 reaction|SN2 >> Ring opening SN2 reaction >> Four- and Five-Membered Lactones",1,"No alert found",0,"Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Epoxides and aziridines",1,"Epoxides and aziridines|H-acceptor-path3-H-acceptor|Oxolane",1,null,0]
["142438-61-7","3-carbamoyl-3,4-epoxy-5-hydroxy-5-phenyl-gamma-butyrolactam","C(N)(=O)C12C(=O)NC(O)(c3ccccc3)C1O2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","YES","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes|SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides",1,"Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Epoxides and aziridines",1,"Epoxides and aziridines|H-acceptor-path3-H-acceptor",1,null,0]
["142783-37-7","3,3'-(diacetylamino)-4,4'-dimethylazoxybenzene","c1(C)c(NC(C)=O)cc(N=N(=O)c2cc(NC(C)=O)c(C)cc2)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","YES","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic azo",1,"Aromatic N-acyl amine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aromatic N-acyl amine",1,"Aromatic N-acyl amine|H-acceptor-path3-H-acceptor",1,null,0]
["144651-75-2","1-salicyl-tetrahydro-beta-carboline-3-carboxylic acid","C12c3c(cccc3)NC=1C(Cc1c(O)cccc1)NC(C(=O)O)C2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","YES","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Alkyl phenols",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["147151-64-2","(17beta)-17-[[3-[3-[bis(2-chloroethyl)amino]phenyl]-1-oxo-2-propenyl]oxy]-3-aza-a-homocholest-4a-en-;(17beta)-17-((3-(3-(bis(2-chloroethyl)amino)phenyl)-1-oxo-2-propenyl)oxy)-3-aza-a-homocholest-4a-en-4-one","C12C(C)(C3C(C4C(C)(C(OC(=O)C=Cc5cc(N(CCCl)CCCl)ccc5)CC4)CC3)CC1)CCNC(=O)C=2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Nitrogen Mustards",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine|SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> Mustards",1,"alpha,beta-unsaturated carbonyls (Genotox)|S or N mustard (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"alpha,beta-unsaturated carbonyls|S or N mustard",1,"alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor|S or N mustard",1,null,0]
["148749-29-5","6,7-epoxycyproterone acetate","C12(Cl)C3C(C)(C4C(C(=O)C=3)C4)C3C(C4C(C)(C(C(C)=O)(OC(C)=O)CC4)CC3)C1C2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","YES","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Specific Acetate Esters|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Specific Acetate Esters|SN2|SN2 >> Acylating agents|SN2 >> Acylating agents >> Specific Acetate Esters|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Specific Acetate Esters",1,"No alert found",0,"(Poly) Halogenated Cycloalkanes (Nongenotox)|alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for nongenotoxic carcinogenicity|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"No alert found",0,"alpha,beta-unsaturated carbonyls",1,"alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor",1,null,0]
["150147-09-4","4'-[n,n-di(2-hydroxyethyl)amino]-1'-phenylazo-3-[6-[n,n-di(2-hydroxyethyl)amino]]pyridine;4'-(n,n-di(2-hydroxyethyl)amino)-1'-phenylazo-3-(6-(n,n-di(2-hydroxyethyl)amino))pyridine","c1(N=Nc2ccc(N(CCO)CCO)nc2)ccc(N(CCO)CCO)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","YES","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic azo|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine",1,"Aromatic diazo (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aromatic diazo",1,"Aromatic diazo|H-acceptor-path3-H-acceptor",1,null,0]
["150366-18-0","e2011;ccris 8691","c12c(cc(N3C(=O)OC(COC)C3)cc1)SC(C(O)CCC#N)=N2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","YES","Romualdo Benigni","With S9","Inconclusive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",{"$f":"IF(AA7141=\"No alert found\",0,1)","v":0},"No alert found",{"$f":"IF(AC7141=\"No alert found\",0,1)","v":0},"No alert found",{"$f":"IF(AE7141=\"No alert found\",0,1)","v":0},"H-acceptor-path3-H-acceptor",{"$f":"IF(AG7141=\"No alert found\",0,1)","v":1},null,{"$f":"IF(AG7141=\"H-acceptor-path3-H-acceptor\",1,0)","v":1}]
["151455-09-3","aristolochic acid iv sodium salt","C(=O)(O)c1c2c(c3c(c(OC)cc(OC)c3)cc2N(=O)=O)c2c(c1)OCO2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","YES","Romualdo Benigni","Without S9","Inconclusive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"1,3-Benzodioxoles (Nongenotox)|Nitro-aromatic (Genotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Nitro-aromatic|Polycyclic Aromatic Hydrocarbons",1,"1,3-dialkoxy-benzene|H-acceptor-path3-H-acceptor|Nitro-aromatic|Polycyclic Aromatic Hydrocarbons",1,null,0]
["154159-06-5","parlar 62;ccris 8415","C1(Cl)(Cl)C2(C(Cl)Cl)C(C(Cl)Cl)(CCl)C(C(Cl)(Cl)C2)C1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","YES","Romualdo Benigni","Without S9","Inconclusive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes",1,"Acylation|Acylation >> P450 Mediated Activation to Acyl Halides|Acylation >> P450 Mediated Activation to Acyl Halides >> 1,1-Dihaloalkanes|SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides",1,"(Poly) Halogenated Cycloalkanes (Nongenotox)|Aliphatic halogens (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes",1,"Aliphatic halogens",1,"Aliphatic halogen",1,null,0]
["161221-84-7","1',5-dimethoxy-3',7-dimethyl-(2,2'-binaphthalene)-1,4,5',8'-tetrol;1',5-dimethoxy-3',7-dimethyl-(2,2'-binaphthalene)-1,4,5',8'-tetroltetraacetate","c1(-c2c(OC(C)=O)c3c(c(OC)cc(C)c3)c(OC(C)=O)c2)c(OC)c2c(c(OC(C)=O)ccc2OC(C)=O)cc1C","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","YES","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Specific Acetate Esters|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Specific Acetate Esters|SN2|SN2 >> Acylating agents|SN2 >> Acylating agents >> Specific Acetate Esters|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Specific Acetate Esters",1,"No alert found",0,"o-phenylphenol (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["162050-11-5","(z)-3,4-dichloro-2,5-dihydro-5-(hydroxyimino)-2-furancarboxylic acid,;(z)-3,4-dichloro-2,5-dihydro-5-(hydroxyimino)-2-furancarboxylic acid, methyl ester","C1(=NO)C(Cl)=C(Cl)C(C(=O)OC)O1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","Without S9","Inconclusive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Specific Imine and Thione Derivatives|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> N-hydroxylamines|SN2|SN2 >> Diazonium ion formation|SN2 >> Diazonium ion formation >> Specific Imine and Thione Derivatives",1,"No alert found",0,"No alert found",0,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Specific Imine and Thione Derivatives|SN2|SN2 >> Diazonium ion formation|SN2 >> Diazonium ion formation >> Specific Imine and Thione Derivatives",1,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["173106-65-5","3-[[(11-carboxyundecyl)amino]carbonyl]-2,2,5,5-teramethyl-1-pyrrolidinyloxy;3-(((11-carboxyundecyl)amino)carbonyl)-2,2,5,5-tetramethyl-1-pyrrolidinyloxy","C(=O)(C1C(C)(C)N(O)C(C)(C)C1)NCCCCCCCCCCCC(=O)O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","YES","Romualdo Benigni","Without S9","Inconclusive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> N-hydroxylamines",1,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["173450-36-7","3,3'-di(n-propoxycarbonyl)-4,4'-diaminodiphenylmethane;benzoic acid, 3,3'-methylenebis[6-amino-, dipropyl ester","C(=O)(c1c(N)ccc(Cc2cc(C(=O)OCCC)c(N)cc2)c1)OCCC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","YES","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters",1,null,0]
["173450-37-8","3,3'-di(n,n-diethylcarbamoyl)-4,4'-diaminodiphenylmethane","C(=O)(c1c(N)ccc(Cc2cc(C(=O)N(CC)CC)c(N)cc2)c1)N(CC)CC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","YES","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters",1,null,0]
["173450-39-0","3,3'-di(n,n-dibutylcarbamoyl)-4,4'-diaminodiphenylmethane","C(=O)(c1c(N)ccc(Cc2cc(C(=O)OCCOCC)c(N)cc2)c1)OCCOCC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","YES","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters",1,null,0]
["184582-67-0","1,4,7,10,13,16,19-heptaoxanonadecyl-2,7-[(10-methyl)-9-thioacridinone];1,4,7,10,13,16,19-heptaoxanonadecyl-2,7-((10-methyl)-9-thioacridinone)","c12C(=S)c3c4ccc(c3)OCCOCCOCCOCCOCCOCCOc(ccc1N4C)c2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","YES","Romualdo Benigni","Without S9","Inconclusive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["210245-96-8","4-[[4-(dimethylamino)phenyl]azo]phenyl-beta-d-glucopyranoside;4-((4-(dimethylamino)phenyl)azo)phenyl-beta-d-glucopyranoside","c1(N=Nc2ccc(OC3C(O)C(O)C(O)C(CO)O3)cc2)ccc(N(C)C)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","YES","Romualdo Benigni","With S9","Inconclusive","CCRIS database,Toxnet databases","TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic azo|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine",1,"Aromatic diazo (Genotox)|Aromatic mono-and dialkylamine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aromatic diazo|Aromatic mono-and dialkylamine",1,"Aromatic diazo|Aromatic mono- and dialkylamine|H-acceptor-path3-H-acceptor",1,null,0]
["332397-22-5","benzamidoxime o-sulfate","C(N)(c1ccccc1)=NOS(=O)(=O)O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","Without S9","Inconclusive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["60687-93-6","laccaic acid;lacchaic acid;laccaicacid(ci naturalred25)andits salts,whenusedasasubstanceinhairdye products","c12C(=O)c3c(C(=O)c1c(C(=O)O)c(C(=O)O)c(O)c2)c(O)c(-c1c(O)ccc(CCNC(C)=O)c1)c(O)c3O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","YES","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Alkyl phenols",1,"o-phenylphenol (Nongenotox)|Phtalate (or buthyl) diesters and monoesters (Nongenotox)|Quinones (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones",1,"Quinones",1,"H-acceptor-path3-H-acceptor|Quinones",1,null,0]
["12224-98-5","c.i. pigment red 81;xanthylium, 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethyl-, molybdatetungstatephosphate;xanthylium, 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethyl-, molybdate tungstate phosphate","C(=O)(c1c(-c2c3c(cc(NCC)c(C)c3)o{+}(.O{-}[Mo](=O)=O)c3c2cc(C)c(NCC)c3)cccc1)OCC_C(=O)(c1c(-c2c3c(cc(NCC)c(C)c3)o{+}(.O{-}P(=O)(OO[W](=O)(=O)O)O{-}.o{+}3c4c(c(-c5c(C(=O)OCC)cccc5)c5c3cc(NCC)c(C)c5)cc(C)c(NCC)c4)c3c2cc(C)c(NCC)c3)cccc1)OCC_C(=O)(c1c(-c2c3c(cc(NCC)c(C)c3)o{+}c3c2cc(C)c(NCC)c3)cccc1)OCC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","YES","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Secondary aromatic amine",1,"Aromatic mono-and dialkylamine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aromatic mono-and dialkylamine",1,"Aromatic mono- and dialkylamine|H-acceptor-path3-H-acceptor",1,null,0]
["74518-99-3","trans-4'-tert-butyl-4-aminostilbene;benzenamine, 4-[2-[4-(1,1-dimethylethyl)phenyl]ethenyl]-, (e)-","C(C)(C)(C)c1ccc(C=Cc2ccc(N)cc2)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","YES","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"Primary aromatic amine, hydroxyl amine and its derived esters",1,null,0]
["389104-55-6","1-(tert)butyl-2-aminonaphthalene;1-tert-butyl-naphthalen-2-ylamine","C(C)(C)(C)c1c2c(ccc1N)cccc2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","YES","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"Primary aromatic amine, hydroxyl amine and its derived esters",1,null,0]
["389104-59-0","1-(tert)butyl-2-aminofluorene;1-tert-butyl-9h-fluoren-2-ylamine","C(C)(C)(C)c1c2c(-c3c(cccc3)C2)ccc1N","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","YES","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Polycyclic Aromatic Hydrocarbons (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Polycyclic Aromatic Hydrocarbons|Primary aromatic amine,hydroxyl amine and its derived esters",1,"Polycyclic Aromatic Hydrocarbons|Primary aromatic amine, hydroxyl amine and its derived esters",1,null,0]
["343-94-2","tryptamine hydrochloride;1h-indole-3-ethanamine, monohydrochloride;2-(indol-3-yl)ethylamine hydrochloride;2-(1h-indol-3-yl)ethanamine hydrochloride","C1(CCN)c2c(cccc2)NC=1_Cl","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","YES","Romualdo Benigni","Without S9","Inconclusive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["362-74-3","dibutyryl cyclic amp;bucladesine;dibutyryl camp;(4ar,6r,7r,7ar)-6-[6-(butanoylamino)-9h-purin-9-yl]-2-hydroxy-2-oxidotetrahydro-4h-furo[3,2-d][1,3,2]dioxaphosphinin-7-yl butanoate;butyramide, n-(9-beta-d-ribofuranosyl-9h-purin-6-yl)-, cyclic 3',5'-(hydrogen phosphate) 2'-butyrate (8ci)","c1(NC(=O)CCC)c2c(N(C3C(OC(=O)CCC)C4C(COP(=O)(O)O4)O3)C=N2)ncn1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"No alert found",0,"Imidazole, benzimidazole (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"No alert found",0,"H-acceptor-path3-H-acceptor|Oxolane",1,null,0]
["16423-19-1","geosmin","C12(C)C(O)(C(C)CCC1)CCCC2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["68603-42-9","coconut diethanolamide;dodecanamide, n,n-bis(2-hydroxyethyl)-;amides, coco, n,n-bis(hydroxyethyl)","C(=O)(CCCCCCCCCCC)N(CCO)CCO","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","YES","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["117467-28-4","cefditoren pivoxil;5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2-amino-4-thiazolyl)(methoxyimino)acetyl)amino)-3-(2-(4-methyl-5-thiazolyl)ethenyl)-8-oxo-, (2,2-dimethyl-1-oxopropoxy)methyl ester, (6r-(3(z),6-alpha,7-beta-(z)))-","C(=O)(C(C1=CSC(N)=N1)=NOC)NC1C(=O)N2C(C(=O)OCOC(=O)C(C)(C)C)=C(C=CC3=C(C)N=CS3)CSC12","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary (unsaturated) heterocyclic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters",1,null,0]
["1937-37-7","c.i. direct black 38;disodium 4-amino-3-[[4'-[(2,4-diaminophenyl)azo][1,1'-biphenyl]-4-yl]azo]-5-hydroxy-6-(phenylazo)naphthalene-2,7-disulphonate;2,7-naphthalenedisulfonic acid, 4-amino-3-[[4'-[(2,4-diaminophenyl)azo][1,1'-biphenyl]-4-yl]azo]-5-hydroxy-6-(phenylazo)-, disodium salt;disodium 4-amino-3-[(e)-{4'-[(e)-(2,4-diaminophenyl)diazenyl]biphenyl-4-yl}diazenyl]-5-hydroxy-6-[(e)-phenyldiazenyl]naphthalene-2,7-disulfonate;disodium4amino3[[4?[(2,4diaminophenyl)azo][1,1?biphenyl]4yl]azo]5hydroxy6(phenylazo)naphthalene2,7disulphonate;4-amino-3-((4'-((2,4-diamophenyl)azo)(1,1'-biphenyl)-4-yl)azo)-5-hydroxy-6-(phenylazo)-2,7-naphthalenedisulfonic acid","[Na]{+}_c1(-c2ccc(N=Nc3c(N)c4c(O)c(N=Nc5ccccc5)c(S(=O)(=O)O{-}.[Na]{+})cc4cc3S(=O)(=O)O)cc2)ccc(N=Nc2c(N)cc(N)cc2)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality, Conflict","YES","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"No alert found|SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic azo|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Aromatic diazo (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aromatic diazo",1,"Aromatic diazo|H-acceptor-path3-H-acceptor",1,null,0]
["2150-54-1","c.i. direct blue 25;c.i. 23790;tetrasodium 3,3'-[(3,3'-dimethyl[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[4,5-dihydroxynaphthalene-2,7-disulphonate];2,7-naphthalenedisulfonic acid, 3,3'-[(3,3'-dimethyl[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[4,5-dihydroxy-, tetrasodium salt;tetrasodium 3,3'-[(3,3'-dimethylbiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis(4,5-dihydroxynaphthalene-2,7-disulfonate)","c1(-c2cc(C)c(N=Nc3c(O)c4c(O)cc(S(=O)(=O)O{-}.[Na]{+})cc4cc3S(=O)(=O)O{-}.[Na]{+})cc2)cc(C)c(N=Nc2c(O)c3c(O)cc(S(=O)(=O)O{-}.[Na]{+})cc3cc2S(=O)(=O)O{-}.[Na]{+})cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","YES","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["3567-66-6","c.i. acid red 33, disodium salt;disodium 5-amino-4-hydroxy-3-(phenylazo)naphthalene-2,7-disulphonate;2,7-naphthalenedisulfonic acid, 5-amino-4-hydroxy-3-(phenylazo)-, disodium salt;disodium 5-amino-4-hydroxy-3-(phenyldiazenyl)naphthalene-2,7-disulfonate","[Na]{+}_c1(S(=O)(=O)O)c(N=Nc2ccccc2)c(O)c2c(N)cc(S(=O)(=O)O{-}.[Na]{+})cc2c1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality, Conflict","YES","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"No alert found|SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Aromatic diazo (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aromatic diazo",1,"Aromatic diazo|H-acceptor-path3-H-acceptor",1,null,0]
["6441-91-4","c.i. acid violet 1;disodium 6-amino-4-hydroxy-5-[(4-nitro-2-sulphonatophenyl)azo]naphthalene-2-sulphonate;2-naphthalenesulfonic acid, 6-amino-4-hydroxy-5-[(4-nitro-2-sulfophenyl)azo]-, disodium salt;disodium 6-amino-4-hydroxy-5-[(4-nitro-2-sulfonatophenyl)diazenyl]naphthalene-2-sulfonate","c1(N)c(N=Nc2c(S(=O)(=O)O{-}.[Na]{+})cc(N(=O)=O)cc2)c2c(O)cc(S(=O)(=O)O{-}.[Na]{+})cc2cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","YES","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic azo|SN1 >> Nitrenium Ion formation >> Aromatic nitro|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"No alert found",0,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["20153-98-4","dilazep dihydrochloride;(tetrahydro-1h-1,4-diazepine-1,4(5h)-diyl)di(propane-1,3-diyl) bis(3,4,5-trimethoxybenzoate) dihydrochloride;1,4-diazepane-1,4-diyldipropane-3,1-diyl bis(3,4,5-trimethoxybenzoate) dihydrochloride","C(=O)(c1cc(OC)c(OC)c(OC)c1)OCCCN1CCCN(CCCOC(=O)c2cc(OC)c(OC)c(OC)c2)CC1_Cl_Cl","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","YES","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones|No alert found|SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"No alert found",0,"No alert found",0,"No alert found",0,"1,3-dialkoxy-benzene|H-acceptor-path3-H-acceptor",1,null,0]
["1336-93-2","manganese naphthenate;naphthenic acids, manganese salts","C(=O)(CC1CCCC1)O{-}.[Mn]{2+}.O{-}C(=O)CC1CCCC1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","YES","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["6485-39-8","manganese gluconate;manganese, bis(d-gluconato-o1,o2)-, (t-4)-;bis(d-gluconato-o1,o2)manganese","C(=O)(C(O)C(O)C(O)C(O)CO)O{-}.[Mn]{2+}.O{-}C(=O)C(O)C(O)C(O)C(O)CO","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","YES","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["8001-79-4","castor oil","C(=O)(C(COC(=O)CCCCCCCC=CCC(O)CCCCCC)OC(=O)CCCCCCC=CCC(O)CCCCCC)OCCCCCCCC=CCC(O)CCCCCC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","YES","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["8006-44-8","candellila wax;candelilla wax","C(C)CCCCCCCCCCCCCCCCCCCCCCCCCCCCC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","YES","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["8007-24-7","cashew nut shell liquid;cashew, nutshell liq.;cashew nut oil;cashew, nutshell liquid","c1(O)cc(CCCCCCCC=CCC=CCC=C)ccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","YES","Romualdo Benigni","With S9","Inconclusive","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["8007-75-8","bergamot oil;oils, bergamot","C(C)(C=C)(CCC=C(C)C)OC(C)=O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","YES","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Specific Acetate Esters|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Specific Acetate Esters|SN2|SN2 >> Acylating agents|SN2 >> Acylating agents >> Specific Acetate Esters|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Specific Acetate Esters",1,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["8008-20-6","jp-5 navy fuel;kerosine (petroleum);kerosine, petroleum;jp5 jet fuel;jp-5 navy fuel/marine diesel fuel;kerosine","C(C)CCCCCCCCCC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","YES","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["8008-79-5","mint oil;oils, spearmint","C1(=O)C(C)=CCC(C(=C)C)C1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","YES","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",{"$f":"IF(W7175=\"No alert found\",0,1)","v":0},"Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated ketones",1,"alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"alpha,beta-unsaturated carbonyls",1,"alpha,beta-unsaturated carbonyls",1,null,0]
["8015-01-08","marjoram oil;oils, marjoram, sweet;oils, marjoram","C1(C(C)C)=CC=C(C)CC1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","YES","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["8016-25-9","humulus lupulus extract;hops extract","C(=C)(C=C)CCC=C(C)C","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","YES","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["9000-29-7","guaiac gum;guaiacum (resin);guiacum (resin)","C1(c2cc(OC)c(O)cc2)=CC=C(c2cc(OC)c(O)cc2)O1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","YES","Romualdo Benigni","With S9","Inconclusive","CCRIS database,Toxnet databases","TA 102","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["13963-57-0","aluminum acetylacetonate;aluminum, tris(2,4-pentanedionato-o,o’)-, (oc-6-11)-;aluminium tris(2,4-pentanedionato-o,o');aluminum, tris(2,4-pentanedionato-.kappa.o,.kappa.o')-, (oc-6-11)-;aluminum, tris(2,4-pentanedionato-o,o )-, (oc-6-11)-;aluminum, tris(2,4-pentanedionato)-;aluminum, tris(2,4-pentanedionato-o,o')-, (oc-6-11)-;aluminum (2e)-4-oxopent-2-en-2-olate bis[(2z)-4-oxopent-2-en-2-olate];aluminium, tris(2,4-pentanedionato-o,o')-, (oc-6-11)-","C(C)(=O)C=C(C)O{-}.[Al]{3+}(.O{-}C(C)=CC(C)=O).O{-}C(C)=CC(C)=O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Moderate Quality","YES","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"alpha,beta-unsaturated carbonyls",1,"alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor",1,null,0]
["56602-33-6","(1h-benzotriazol-1-yloxy)-tris(dimethylamino)phosphonium;tri(dimethylamino)benzotriazol-1-yloxyphosphonium hexafluorophosphate;phosphorus(1++), (1-hydroxy-1h-benzotriazolato-o)tris(n-methylmethanaminato)-, (t-4)-, hexafluorophosphate(1-);(1h-benzotriazol-1-yloxy)[tris(dimethylamino)]phosphonium hexafluorophosphate","c12c(cccc1)N(OP(N(C)C)(N(C)C)N(C)C)N=N2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","YES","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["61788-85-0","polyoxyethylene hydrogenated castor oil 60;castor oil, hydrogenated, ethoxylated","C(=O)(CCCCCCCC=CCC(CCCCCC)OCCOCCOCCOCCOCCO)OCC(COC(=O)CCCCCCCC=CCC(O)CCCCCC)OC(=O)CCCCCCCC=CCC(O)CCCCCC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","YES","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["61790-81-6","ethoxylated lanolin;lanolin, ethoxylated","C12C(C)(C3C(C4C(C)(C(C(C)CCCC(C)C)CC4)CC3)CC=1)CCC(OCCOCCOCCOCCOCCO)C2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","YES","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["64742-88-7","stoddard solvent iic;stoddard solvent (type iic);solvent naphtha (petroleum), medium aliph.;solvent naphtha, petroleum, medium aliph.;solvent naphtha, petroleum, medium aliphatic","C(C)CCCCCCCC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","YES","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["64742-95-6","high-flash aromatic naphtha, type 1;solvent naphtha (petroleum), light arom.;solvent naphtha, petroleum, light arom.;aromatic naphtha, type i;solvent naphtha, petroleum, light aromatic","c12c(cccc1)cccc2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","YES","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["68647-73-4","tea tree oil;oils, tea-tree;oils, tea tree","C1(C)(C)C2CCC(C)(CC2)O1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","YES","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["68783-78-8","dimethyl ditallow ammonium chloride;quaternary ammonium compounds, dimethylditallow alkyl, chlorides;ditallow dimethylammonium;quaternary ammonium compounds, dimethyl ditallow alkyl, chlorides;dimethylditallow alkyl quaternary ammonium compounds, chlorides","C(=CCCCCCCCCN{+}(C)(C)(.Cl{-})CCCCCCCC=CCCCCCCCC)CCCCCCCC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","YES","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["68916-39-2","witch hazel;oils, hamamelis virginiana;hamamelis water (witch hazel)","c1(O)c(OC)cc(CC=C)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","YES","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones|SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Allyl benzenes",1,"Alkylbenzenes (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["74113-74-9","hickory smoke, distillate;pyroligneous acids, hickory;hickory smoke distillate","C1(C=O)=CC=CO1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","YES","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation of Heterocyclic Ring Systems|Michael addition >> P450 Mediated Activation of Heterocyclic Ring Systems >> Furans",1,"Simple aldehyde (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Simple aldehyde",1,"H-acceptor-path3-H-acceptor|Simple aldehyde",1,null,0]
["1326-03-0","c.i. pigment violet 1;xanthylium, 9-(2-carboxyphenyl)-3,6-bis(diethylamino)-, molybdatetungstatephosphate","C(=O)(O)c1c(-c2c3c(cc(N(CC)CC)cc3)o{+}(.O{-}[Mo](=O)=O)c3c2ccc(N(CC)CC)c3)cccc1_C(=O)(O)c1c(-c2c3c(cc(N(CC)CC)cc3)o{+}c3c2ccc(N(CC)CC)c3)cccc1_C(=O)(O)c1c(-c2c3c(cc(N(CC)CC)cc3)o{+}c3c2ccc(N(CC)CC)c3)cccc1_C(=O)(O)c1c(-c2c3c(cc(N(CC)CC)cc3)o{+}c3c2ccc(N(CC)CC)c3)cccc1_O(OP(=O)(O)O)[W](=O)(=O)O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality, Conflict","YES","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found|SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine",1,"Aromatic mono-and dialkylamine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aromatic mono-and dialkylamine",1,"Aromatic mono- and dialkylamine|H-acceptor-path3-H-acceptor",1,null,0]
["12083-48-6","bis(cyclopentadienyl)vanadium chloride;dichlorobis(?5-cyclopenta-2,4-dien-1-yl)vanadium;dichloro(dicyclopenta-2,4-dien-1-yl)vanadium","C1C([V](Cl)(Cl)C2C=CC=C2)C=CC=1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["14302-13-7","c.i. pigment green 36;[1,3,8,16,18,24-hexabromo-2,4,9,10,11,15,17,22,23,25-decachloro-29h,31h-phthalocyaninato(2-)-n29,n30,n31,n32]copper;copper, [1,3,8,16,18,24-hexabromo-2,4,9,10,11,15,17,22,23,25-decachloro-29h,31h-phthalocyaninato(2-)-n29,n30,n31,n32]-,(sp-4-2)-;[1,3,8,16,18,24-hexabromo-2,4,9,10,11,15,17,22,23,25-decachloro-29h,31h-phthalocyaninato(2-)-kappa~2~n~29~,n~31~]copper","C12c3c(C(N=C4c5c(C6=NC7c8c(C(=NC9c:c(Br)c(Cl)c(Br)c(Cl)c:C(N9[Cu]N46)N=1)N=7)c(Cl)c(Cl)c(Br)c8Cl)c(Br)c(Cl)c(Br)c5Cl)=N2)c(Br)c(Cl)c(Cl)c3Cl","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Metals, oxidative stress (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["14882-18-9","bismuth subsalicylate;bismuth, (2-hydroxybenzoato-o1,o2)oxo-;bismuth oxide salicylate;4h-1,3,2-benzodioxabismin-4-one, 2-hydroxy-;2-hydroxy-4h-1,3,2-benzodioxabismin-4-one","C1(=O)c2c(cccc2)O{-}.[Bi]{3+}(.O{-}).O{-}1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","YES","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["25399-81-9","zirconium oxychloride, hexahydrate;zirconium oxychloride hexahydrate","O_O_O_O_O_O_O=[Zr]{+}(Cl).Cl{-}","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","YES","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["1302-78-9","bentonite;bentonite-","C(CN(CCON(=O)=O)CCON(=O)=O)ON(=O)=O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","YES","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical decomposition|Radical >> Radical decomposition >> Alkylnitrites|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Alkylnitrites|SN1|SN1 >> Nitrosation|SN1 >> Nitrosation >> Alkylnitrites",1,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"No alert found",0,"Radical|Radical >> Radical decomposition|Radical >> Radical decomposition >> Alkylnitrites|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Alkylnitrites|SN1|SN1 >> Nitrosation|SN1 >> Nitrosation >> Alkylnitrites",1,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["8061-51-6","lignosulfonic acid, sodium salt;sodium ligninsulfonate","c1(OC)c(O)c(CC(CS(=O)(=O)O)Oc2c(OC)cc(CCCS(=O)(=O)O{-}.[Na]{+})cc2)ccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","YES","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Alkyl phenols|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["549-66-6","quinine valerate;pentanoic acid - (8alpha,9r)-6'-methoxycinchonan-9-ol (1:1)","C(=O)(O)CCCC_c12c(c(C(O)C3CC4C(C=C)CN3CC4)ccn1)cc(OC)cc2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found|SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["1325-37-7","c.i. direct yellow 11;benzenesulfonic acid, 2-methyl-5-nitro-, alkaline condition products","C(=O)(C1CC1)N1C(C)CN(c2cc(Cl)nc(SCC(=O)NCC(C)C)n2)CC1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","YES","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["9011-18-1","dextran sulfate sodium;dextran sulfate sodium (ds-m-1);dextran sulfate sodium (dst-h);dextran sulfate sodium (kmds-h);dextran, hydrogen sulfate, sodium salt","C(=O)C(O)C(O)C(O)C(O)COC1C(O)C(O)C(O)C(COC2C(O)C(O)C(O)C(CO)O2)O1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Inconclusive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Schiff base formers|Schiff base formers >> Direct Acting Schiff Base Formers|Schiff base formers >> Direct Acting Schiff Base Formers >> Mono aldehydes",1,"Simple aldehyde (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Simple aldehyde",1,"H-acceptor-path3-H-acceptor|Simple aldehyde",1,null,0]
["16961-83-4","hexafluorosilicic acid;silicate(2-), hexafluoro-, dihydrogen;dihydrogen hexafluorosilicate;hexafluorosilicate","F[Si](F)(F)(F)(F)F","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","YES","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["1327-39-5","calcium aluminosilicate;silicic acid, aluminum calcium salt;silicic acid, aluminium calcium salt","O[Si](O)(O)O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","YES","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
["8012-89-3","beeswax","C(=O)(O)CCCCCCCCCCCCCCC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","YES","Romualdo Benigni","With S9","Negative","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["9005-37-2","propylene glycol alginate;alginic acid, ester with 1,2-propanediol","C(=O)(O)C1C(OC)C(O)C(O)C(OC2C(C(=O)O)OC(OC)C(O)C2O)O1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","YES","Romualdo Benigni","With S9","Inconclusive","CCRIS database,Toxnet databases","TA 102","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1,null,1]
["68855-54-9","diatomaceous earth;kieselguhr, soda ash flux-calcined;diatomite;kieselguhr, soda ash, flux calcined;dioxosilane (kieselguhr, soda ash flux-calcined)","O=[Si]=O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","YES","Romualdo Benigni","With S9","Inconclusive","CCRIS database,Toxnet databases","TA 102","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,null,0]
[]
[{"$nulls":20},"Total neg","alerts",null,{"$f":"SUM(X2853:X7204)","v":1715},null,{"$f":"SUM(Z2853:Z7204)","v":1988},null,{"$f":"SUM(AB2853:AB7204)","v":2204},null,{"$f":"SUM(AD2853:AD7204)","v":1115},null,{"$f":"SUM(AF2853:AF7204)","v":1797},null,{"$f":"SUM(AH2853:AH7204)","v":3484},null,{"$f":"SUM(AJ2853:AJ7204)","v":1559}]
[]
[]
["53-96-3","2-acetylaminofluorene;n-2-fluorenylacetamide;2-acetylaminofluorene [2-acetaminofluorene] [2,fluorenyl acetamide (2-faa)];n-fluoren-2-ylacetamide;2-acetylaminofluorene (2-aaf);acetamide, n-9h-fluoren-2-yl-;n-(9h-fluoren-2-yl)acetamide;n-9h-fluoren-2-ylacetamide","c12-c3c(cc(NC(C)=O)cc3)Cc1cccc2","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Aromatic N-acyl amine (Genotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",{"$f":"IF(AA7208=\"No alert found\",0,1)","v":1},"No alert found",{"$f":"IF(AC7208=\"No alert found\",0,1)","v":0},"Aromatic N-acyl amine|Polycyclic Aromatic Hydrocarbons",{"$f":"IF(AE7208=\"No alert found\",0,1)","v":1},"Aromatic N-acyl amine|H-acceptor-path3-H-acceptor|Polycyclic Aromatic Hydrocarbons",{"$f":"IF(AG7208=\"No alert found\",0,1)","v":1}]
["57-06-7","allyl isothiocyanate;3-isothiocyanato-1-propene;isothiocyanic acid, allyl ester;1-propene, 3-isothiocyanato-;1-propene, 3-isothiocyanato-\"\"\";3-isothiocyanatoprop-1-ene;allylisothiocyanate;1-propene, 3-isothiocyanato-\";57-06-7","C(=S)=NCC=C","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Equivocal","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Acylation|Acylation >> Isocyanates and Isothiocyanates|Acylation >> Isocyanates and Isothiocyanates >> Isothiocyanates",1,"Isocyanate and isothiocyanate groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Isocyanate and isothiocyanate groups",1,"Isocyanate and isothiocyanate groups",1]
["117-80-6","2,3-dichloro-1,4-napthalenedione;1,4-naphthalenedione, 2,3-dichloro-;2,3-dichloro-1,4-naphthoquinone;dichlone;1,4-naphthoquinone, 2,3-dichloro-;2,3-dichloro-1,4-naphthalenedione;2,3-dichloronaphthalene-1,4-dione","C1(Cl)C(=O)c2c(C(=O)C=1Cl)cccc2","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives",1,"Michael addition|Michael addition >> Quinones and Quinone-type Chemicals|Michael addition >> Quinones and Quinone-type Chemicals >> Quinones",1,"Quinones (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives",1,"Quinones",1,"H-acceptor-path3-H-acceptor|Quinones",1]
["23184-66-9","butachlor;n-(butoxymethyl)-2-chloro-2',6'-diethylacetanilide;n-(butoxymethyl)-2-chloro-n-(2,6-diethylphenyl)acetamide;acetamide, n-(butoxymethyl)-2-chloro-n-(2,6-diethylphenyl)-;23184-66-9","c1(CC)c(N(C(=O)CCl)COCCCC)c(CC)ccc1","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Equivocal","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aliphatic halogens",1,"Aliphatic halogen|H-acceptor-path3-H-acceptor",1]
["82-28-0","1-amino-2-methylanthraquinone;1-amino-2-methyl-9,10-anthracenedione;9,10-anthracenedione, 1-amino-2-methyl-;anthraquinone, 1-amino-2-methyl-;c.i. disperse orange 11\"\"\";1-amino-2-methylanthracene-9,10-dione","c12C(=O)c3c(C(=O)c1c(N)c(C)cc2)cccc3","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"No alert found",0,"Quinones (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Quinones",1,"H-acceptor-path3-H-acceptor|Quinones",1]
["106-51-4","benzoquinone;benzoquinone, 4-;p-benzoquinone;1,4-benzoquinone;2,5-cyclohexadiene-1,4-dione;p-quinone;106-51-4","C1(=O)C=CC(=O)C=C1","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Equivocal","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones",1,"Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated ketones|Michael addition >> Quinones and Quinone-type Chemicals|Michael addition >> Quinones and Quinone-type Chemicals >> Quinones",1,"Quinones (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones",1,"Quinones",1,"H-acceptor-path3-H-acceptor|Quinones",1]
["120-78-5","benzothiazole, 2,2'-dithiobis-;2,2'-dibenzothiazolyl disulfide;2,2'-dithiobisbenzothiazole;benzothiazyl disulfide;benzothiazole, 2,2 -dithiobis-;di(benzothiazol-2-yl) disulphide;benzothiazole, 2,2’-dithiobis-;altax;2,2'-disulfanediylbis(1,3-benzothiazole);2,2'-dithiobis(1,3-benzothiazole)","c12c(cccc1)N=C(SSC1=Nc3c(cccc3)S1)S2","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0]
["100-44-7","benzyl chloride (a-chlorotoluene);benzyl chloride;benzene, (chloromethyl)-;alpha-chlorotoluene;±-chlorotoluene;?-chlorotoluene;(chloromethyl)benzene;toluene, .alpha.-chloro-;?chlorotoluene(benzylchloride);(alpha)-chlorotoluene;α-chlorotoluene;100-44-7","c1(CCl)ccccc1","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes|SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides",1,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups",1,"Aliphatic halogens",1,"Aliphatic halogen",1]
["305-03-3","chlorambucil;chloroambucil;benzenebutanoic acid, 4-[bis(2-chloroethyl)amino]-;4-{4-[bis(2-chloroethyl)amino]phenyl}butanoic acid;4-[bis(2-chloroethyl)amino]benzenbutanone acid;benzenebutanoic acid, 4-(bis(2-chloroethyl)amino)-;305-03-3","c1(N(CCCl)CCCl)ccc(CCCC(=O)O)cc1","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Nitrogen Mustards",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine|SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> Mustards",1,"S or N mustard (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"S or N mustard",1,"H-acceptor-path3-H-acceptor|S or N mustard",1]
["100-00-5","benzene, 1-chloro-4-nitro-;1-chloro-4-nitrobenzene;chloro-4-nitrobenzene, 1-;p-chloronitrobenzene;4-chloronitrobenzene;1chloro4nitrobenzene;100-00-5","c1(Cl)ccc(N(=O)=O)cc1","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Equivocal","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"Nitro-aromatic",1]
["75-00-3","chloroethane;ethyl chloride;ethane, chloro-","C(C)Cl","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Monohaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Monohaloalkanes|SN2 >> Ring opening SN2 reaction|SN2 >> Ring opening SN2 reaction >> Monohaloalkanes",1,"SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides",1,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Monohaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Monohaloalkanes|SN2 >> Ring opening SN2 reaction|SN2 >> Ring opening SN2 reaction >> Monohaloalkanes",1,"Aliphatic halogens",1,"Aliphatic halogen",1]
["102-50-1","m-cresidine;meta-cresidine;benzenamine, 4-methoxy-2-methyl-;4-methoxy-o-toluidine;p-anisidine, 2-methyl-;4-methoxy-2-methylaniline","c1(N)c(C)cc(OC)cc1","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Equivocal","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"Primary aromatic amine, hydroxyl amine and its derived esters",1]
["78-87-5","propane, 1,2-dichloro-;1,2-dichloropropane;dichloropropane, 1,2-;propylene dichloride;\"\"1,2-dichloro-propane\"\"\";1,2-dichloropropane,;1,2-dichloro-propane;78-87-5","C(C)(Cl)CCl","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Equivocal","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation >> Vicinal Dihaloalkanes",1,"SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> 1,2-Dihaloalkanes",1,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aliphatic halogens",1,"Aliphatic halogen",1]
["60-51-5","phosphorodithioic acid, o,o-dimethyl s-[2-(methylamino)-2-oxoethyl] ester;dimethoate;o,o-dimethyl-s-(n-methylcarbamoylmethyl) phosphorodithioate;phosphorodithioic acid, o,o-dimethyl s-[2-methylamino)-2-oxoethyl]ester;phosphorodithioic acid, o,o-dimethyl ester, s-ester with 2-mercapto-n-methylacetamide;phosphorodithioic acid, o,o-dimethyl s-(2-(methylamino)-2-oxoethyl) ester;phosphorodithioic acid, o,o-dimethyl s-(methylcarbamoylmethyl) ester;o,o-dimethyl s-[2-(methylamino)-2-oxoethyl] phosphorodithioate;dimethoate ( replicate study i);dimethoate (replicate study ii);dimethoate (cygon 267 formulation);o,o-dimethyl s-[2-(methylamino)-2-oxoethyl] dithiophosphate;60-51-5","C(=O)(CSP(=S)(OC)OC)NC","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Equivocal","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"No alert found",0,"No alert found",0,"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["122-66-7","1,2-diphenylhydrazine;hydrazobenzene;hydrazine, 1,2-diphenyl-;1,2-diphenylhydrazine (9ci)","c1(NNc2ccccc2)ccccc1","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Equivocal","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Hydrazine",1,"H-acceptor-path3-H-acceptor|Hydrazine",1]
["123-31-9","hydroquinone (1,4-dihydroxybenzene);hydroquinone;benzene-1,4-diol;1,4-benzenediol;hydrquinone;1,4-dihydroquinone;quinol","c1(O)ccc(O)cc1","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones",1,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0]
["2243-62-1","1,5-naphthalenediamine;1,5-diaminonaphthalene;1,5-naphthylenediamine;naphthalene-1,5-diamine;1,5-napthalenediamine","c1(N)c2c(c(N)ccc2)ccc1","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Equivocal","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"Primary aromatic amine, hydroxyl amine and its derived esters",1]
["1836-75-5","benzene, 2,4-dichloro-1-(4-nitrophenoxy)-;nitrofen;ether, 2,4-dichlorophenyl p-nitrophenyl;2,4-dichloro-1-(4-nitrophenoxy)benzene;2,4-dichloro-1-[(4-nitrophenyl)oxy]benzene;nitrofen (nip);1836-75-5","c1(Oc2ccc(N(=O)=O)cc2)c(Cl)cc(Cl)cc1","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"1-phenoxy-benzene|Nitro-aromatic",1]
["930-55-2","pyrrolidine;n-nitrosopyrrolidine;1-nitrosopyrrolidine;pyrrolidine, 1-nitroso-;930-55-2;<i>n</i>-nitroso","C1CCCN1N=O","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2",1,"Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"Alkyl and aryl N-nitroso groups",1,"Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor",1]
["95-06-7","sulfallate;2-chloroprop-2-en-1-yl diethylcarbamodithioate;carbamodithioic acid, diethyl-, 2-chloro-2-propenyl ester;diethylcarbamodithioic acid 2-chloro-2-propenyl ester;sulfallate vegadex 90 formulation;2-chloroprop-2-en-1-yl diethyldithiocarbamate;carbamodithioic acid, diethyl-, 2-chloro-2-propenyl ester (9ci);95-06-7","C(=C)(Cl)CSC(=S)N(CC)CC","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Equivocal","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"Alkyl carbamate and thiocarbamate (Genotox)|Monohaloalkene (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Alkyl carbamate and thiocarbamate|Monohaloalkene",1,"Alkyl carbamate and thiocarbamate|H-acceptor-path3-H-acceptor|Monohaloalkene",1]
["107-13-1","acrylonitrile;2-propenoic acid;2-propenenitrile;107-13-1;nitrile","C(#N)C=C","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0]
["60-11-7","4-(dimethylamino)azobenzene;dimethyl-(4-phenylazo-phenyl)-amine;n,n-dimethyl-4-aminoazobenzene;4-dimethylaminoazobenzene;4-(n,n-dimethylamino)azobenzene;n,n’-dimethyl-4-aminoazobenzene [4-dimethylamino-azobenzene];benzenamine, n,n-dimethyl-4-(phenylazo)-;n,n-dimethyl-4-[(e)-phenyldiazenyl]aniline;60-11-7","c1(N=Nc2ccccc2)ccc(N(C)C)cc1","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic azo|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine",1,"Aromatic diazo (Genotox)|Aromatic mono-and dialkylamine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aromatic diazo|Aromatic mono-and dialkylamine",1,"Aromatic diazo|Aromatic mono- and dialkylamine|H-acceptor-path3-H-acceptor",1]
["64091-91-4","4-(n-methyl-n-nitrosamino)-1-(3-pyridyl)-1-butanone;4-(methylnitrosamino)-1-(3-pyridyl)-1-(butanone);nnk;nnk (carcinogen);4-(n-nitroso-n-methylamino)-1-(3-pyridyl)-1-butanone;ketone, 3-pyridyl 3-(n-methyl-n-nitrosamino)propyl;4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone;4-[methyl(nitroso)amino]-1-pyridin-3-ylbutan-1-one","C(=O)(c1cccnc1)CCCN(C)N=O","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2",1,"Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"Alkyl and aryl N-nitroso groups",1,"Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor",1]
["5522-43-0","1-nitropyrene;pyrene, 1-nitro-","c12c3c4c(c(N(=O)=O)ccc4ccc3ccc1)cc2","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Nitro-aromatic|Polycyclic Aromatic Hydrocarbons",1,"Nitro-aromatic|Polycyclic Aromatic Hydrocarbons",1]
["89911-79-5","n-nitroso(2,3-dihydroxypropyl)(2-hydroxypropyl)amine;n-nitroso-2,3-dihydroxypropyl-2-hydroxypropylamine;1,2-propanediol, 3-((2-hydroxypropyl)nitrosoamino)-;3-[(2-hydroxypropyl)(nitroso)amino]propane-1,2-diol","C(C)(O)CN(CC(O)CO)N=O","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Equivocal","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2",1,"Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"Alkyl and aryl N-nitroso groups",1,"Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor",1]
["53609-64-6","n-nitrosobis(2-hydroxypropyl)amine;diisopropanolnitrosamine;1,1'-(nitrosoimino)bis-2-propanol;1,1'-(nitrosoimino)dipropan-2-ol","C(C)(O)CN(CC(C)O)N=O","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2",1,"Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"Alkyl and aryl N-nitroso groups",1,"Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor",1]
["1116-54-7","diethanolamine;n-nitrosodiethanolamine;2,2'-(nitrosoimino)bisethanol;ethanol, 2,2'-(nitrosoimino)bis-;ethanol, 2,2'-nitrosiminodi-;nitrosodipropylamine;2,2'-(nitrosoimino)diethanol;nitrosaminese.g.dimethylnitrosoamine;2,2'nitrosoimino)bisethanol;2,2'-nitrosiminodiethanol;n-nitrosodiethylanolamine;1116-54-7;<i>n</i>-nitroso","C(O)CN(CCO)N=O","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2",1,"Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"Alkyl and aryl N-nitroso groups",1,"Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor",1]
["10595-95-6","n-nitrosomethylethylamine;nitrosoethylmethylamine;n-methyl-n-nitrosoethamine;n-methyl-n-nitrosoethanamine;ethylamine, n-methyl-n-nitroso-;10595-95-6","C(C)N(C)N=O","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Equivocal","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2",1,"Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"Alkyl and aryl N-nitroso groups",1,"Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor",1]
["87-59-2","2,3-dimethylaniline;dimethylaniline, 2,3-;2,3-xylidine;2,3-dimethyl-phenylamine;2,3-dimethylbenzenamine;2,3-dimethyl-aniline;benzenamine, 2,3-dimethyl-;118;87-59-2","c1(N)c(C)c(C)ccc1","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Equivocal","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"Primary aromatic amine, hydroxyl amine and its derived esters",1]
["95-84-1","2-amino-4-cresol;methylphenol, 2-amino, 4-;2-amino-4-methylphenol;phenol, 2-amino-4-methyl-;2-amino-p-cresol;p-cresol, 2-amino-;p-cresol, 2-amino- (8ci)","c1(O)c(N)cc(C)cc1","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Alkyl phenols|SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["97-02-9","2,4-dinitroaniline;benzenamine, 2,4-dinitro-;2,4-dinitro-aniline;aniline, 2,4-dinitro-","c1(N)c(N(=O)=O)cc(N(=O)=O)cc1","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Nitro-aromatic (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic|Primary aromatic amine,hydroxyl amine and its derived esters",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["99-09-2","benzenamine, 3-nitro-;3-nitroaniline;nitroaniline, 3-;m-nitroaniline;3-nitro-phenylamine;3-nitrobenzenamine;3-nitro-aniline;aniline, m-nitro-;3-nitro-benzeneamine;99-09-2","c1(N)cc(N(=O)=O)ccc1","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Nitro-aromatic (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic|Primary aromatic amine,hydroxyl amine and its derived esters",1,"Nitro-aromatic|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["106-48-9","phenol, 4-chloro-;4-chloro-3-methylphenol;4-chlorophenol;chlorophenol, 4-;4-chloro-phenol;p-chlorophenol;p-chloro-phenol;phenol, p-chloro-;106-48-9","c1(Cl)ccc(O)cc1","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"No alert found",0]
["97-23-4","phenol, 2,2'-methylenebis[4-chloro-;2,2'-methylenebis(4-chlorophenol);phenol,2,2'-methylenebis 4-chloro-;phenol, 2,2-methylenebis[4-chloro-;2,2'-methylenebis-(4-chlorophenol);dichlorophen;phenol, 2,2’-methylenebis[4-chloro-;dichlorophen [ban:dcf:inn];2,2'-methylene-bis(4-chloro-phenol);2,2''-dihydroxy-5,5''-dichlorodiphenylmethane;2,2'-dihydroxy-5,5'-dichlorodiphenylmethane;phenol, 2,2'-methylenebis(4-chloro-;97-23-4","c1(O)c(Cc2c(O)ccc(Cl)c2)cc(Cl)cc1","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Equivocal","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"No alert found",0]
["107-14-2","chloroacetonitrile;acetonitrile, chloro-;107-14-2","C(#N)CCl","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Equivocal","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups",1,"SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides",1,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups",1,"Aliphatic halogens",1,"Aliphatic halogen",1]
["95-69-2","4-chloro-2-methylaniline;4-chloro-o-toluidine;4-chloro-orto-toluidine hydrochloride;2-methyl-4-chloroaniline;benzenamine, 4-chloro-2-methyl-;o-toluidine, 4-chloro-;chloromethylaniline;95-69-2","c1(N)c(C)cc(Cl)cc1","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",{"$f":"IF(W7243=\"No alert found\",0,1)","v":1},"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"Primary aromatic amine, hydroxyl amine and its derived esters",1]
["91-08-7","2,6-toluene diisocyanate;toluene-2,6-diisocyanate;toluene 2,6-diisocyanate;2-methyl-m-phenylene diisocyanate;benzene, 1,3-diisocyanato-2-methyl-;isocyanic acid, 2-methyl-m-phenylene ester;1,3-diisocyanato-2-methylbenzene;2methylmphenylenediisocyanate(toluene 2,6diisocyanate)","c1(N=C=O)c(C)c(N=C=O)ccc1","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Acylation|Acylation >> Isocyanates and Isothiocyanates|Acylation >> Isocyanates and Isothiocyanates >> Isocyanates",1,"Isocyanate and isothiocyanate groups (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Isocyanate and isothiocyanate groups|Primary aromatic amine,hydroxyl amine and its derived esters",1,"Isocyanate and isothiocyanate groups|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["463-04-7","amyl nitrite;n-amyl nitrite;pentyl nitrite;nitrous acid, pentyl ester","C(CCCC)ON=O","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical decomposition|Radical >> Radical decomposition >> Alkylnitrites|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Alkylnitrites|SN1|SN1 >> Nitrosation|SN1 >> Nitrosation >> Alkylnitrites",1,"SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Alkyl nitrates",1,"Alkyl nitrite (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical decomposition|Radical >> Radical decomposition >> Alkylnitrites|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Alkylnitrites|SN1|SN1 >> Nitrosation|SN1 >> Nitrosation >> Alkylnitrites",1,"Alkyl nitrite",1,"Alkyl nitrite|H-acceptor-path3-H-acceptor",1]
["528-29-0","1,2-dinitrobenzene;o-dinitrobenzene;benzene, 1,2-dinitro-;benzene, 1,2-dinitro- (9ci)","c1(N(=O)=O)c(N(=O)=O)cccc1","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Equivocal","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["93-05-0","n,n-diethyl-p-phenylenediamine;n,n-diethyl-1,4-benzenediamine;4-amino-n,n-diethylaniline;1,4-benzenediamine, n,n-diethyl-;p-phenylenediamine, n,n-diethyl-;n,n-diethylbenzene-1,4-diamine;n,ndiethylpphenylenediamineandits salts,whenusedasasubstanceinhairdye products","c1(N)ccc(N(CC)CC)cc1","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine",1,"Aromatic mono-and dialkylamine (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Aromatic mono-and dialkylamine|Primary aromatic amine,hydroxyl amine and its derived esters",1,"Aromatic mono- and dialkylamine|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["112-57-2","tetraethylenepentamine;n-(2-amino-ethyl)-n'-[2-(2-amino-ethylamino)-ethyl]-ethane-1,2-diamine;1,2-ethanediamine, n-(2-aminoethyl)-n'- 2- (2-aminoethyl)amino ethyl -;1-(2-aminoethyl)amino-2-[2-(2-aminoethyl)-aminoethyl]aminoethane;3,6,9-triazaundecamethylenediamine;1,2-ethanediamine, n-(2-aminoethyl)-n’-[2-[(2-aminoethyl)amino]ethyl]-;1,2-ethanediamine, n-(2-aminoethyl)-n'-[2-[(2-aminoethyl)amino]ethyl]-;1,2-ethanediamine, n-(2-aminoethyl)-n'-Х2-Х(2-aminoethyl)aminoеethylе-;n-(2-aminoethyl)-n'-{2-[(2-aminoethyl)amino]ethyl}ethane-1,2-diamine;1,2-ethanediamine, n-(2-aminoethyl)-n'-(2-((2-aminoethyl)amino)ethyl)-","C(N)CNCCNCCNCCN","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Schiff base formers|Schiff base formers >> Chemicals Activated by P450 to Glyoxal |Schiff base formers >> Chemicals Activated by P450 to Glyoxal  >> Ethylenediamines (including piperazine)",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["534-07-6","1,3-dichloroacetone;1,3-dichloropropanone;2-propanone, 1,3-dichloro-;1,3-dichloropropan-2-one","C(=O)(CCl)CCl","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups",1,"No alert found",0,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups",1,"Aliphatic halogens",1,"Aliphatic halogen",1]
["614-45-9","tert-butyl perbenzoate;benzenecarboperoxoic acid, 1,1-dimethylethyl ester;benzoyl t-butyl peroxide;peroxybenzoic acid, tert-butyl ester;tert-butyl benzenecarboperoxoate;t-butyl perbenzoate;614-45-9","C(=O)(c1ccccc1)OOC(C)(C)C","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Organic Peroxy Compounds",1,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["1854-26-8","dimethyloldihydroxyethylene urea;4,5-dihydroxy-1,3-bis(hydroxymethyl)imidazolidin-2-one;2-imidazolidinone, 4,5-dihydroxy-1,3-bis(hydroxymethyl)-;dimethylol dihydroxyethylene urea","C1(=O)N(CO)C(O)C(O)N1CO","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Equivocal","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"N-methylol derivatives (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"N-methylol derivatives",1,"H-acceptor-path3-H-acceptor|N-methylol derivatives",1]
["78-75-1","1,2-dibromopropane;propane, 1,2-dibromo-;78-75-1","C(C)(Br)CBr","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Equivocal","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation >> Vicinal Dihaloalkanes",1,"SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> 1,2-Dihaloalkanes",1,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aliphatic halogens",1,"Aliphatic halogen",1]
["90-41-5","[1,1'-biphenyl]-2-amine;2-aminobiphenyl (2-phenylaniline);2-aminobiphenyl;biphenyl-2-ylamine;o-aminobiphenyl;2-biphenylamine hydrochloride;2-biphenylamine;1,1'-biphenyl -2-amine;Х1,1'-biphenylе-2-amine;biphenyl-2-amine;biphenyl2ylamine;(1,1'-biphenyl)-2-amine","c1(-c2c(N)cccc2)ccccc1","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Equivocal","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"Primary aromatic amine, hydroxyl amine and its derived esters",1]
["92-93-3","4-nitrobiphenyl;p-nitrobiphenyl;4-nitro-biphenyl;1,1'-biphenyl, 4-nitro-;4nitrobiphenyl","c1(-c2ccc(N(=O)=O)cc2)ccccc1","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"Nitro-aromatic",1]
["95-78-3","benzenamine, 2,5-dimethyl-;2,5-dimethylaniline;2,5-xylidine;2,5-dimethyl-phenylamine;2,5-xylidine.hcl;2,5-dimethyl-aniline;2,5-xylidene;2,5-dimethyl aniline;95-78-3","c1(C)c(N)cc(C)cc1","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"Primary aromatic amine, hydroxyl amine and its derived esters",1]
["518-82-1","emodin;1,3,8-trihydroxy-6-methylanthraquinone;1,3,8-trihydroxy-6-methylanthracene-9,10-dione;1,3,8-trihydroxy-6-methylanthra-9,10-quinone;anthraquinone, 1,3,8-trihydroxy-6-methyl- (8ci)","c12C(=O)c3c(C(=O)c1c(O)cc(C)c2)c(O)cc(O)c3","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones",1,"No alert found",0,"Quinones (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones",1,"Quinones",1,"H-acceptor-path3-H-acceptor|Quinones",1]
["2883-98-9","trans-asarone;(e)-1,2,4-trimethoxy-5-prop-1-enylbenzene;1,2,4-trimethoxy-5-[(1e)-prop-1-en-1-yl]benzene;benzene, 1,2,4-trimethoxy-5-(1-propenyl)-, (e)-","c1(OC)c(C=CC)cc(OC)c(OC)c1","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones",1,"No alert found",0,"No alert found",0,"No alert found",0,"1,3-dialkoxy-benzene|H-acceptor-path3-H-acceptor",1]
["23246-96-0","seneciphylline;riddelliine;riddelline;(15z)-12,18-dihydroxy-13,19-didehydrosenecionan-11,16-dione;senecionan-11,16-dione, 13,19-didehydro-12,18-dihydroxy- (9ci);18-hydroxy","C1(=O)C(O)(CO)C(=C)CC(=CC)C(=O)OC2C3C(=CCN3CC2)CO1","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Equivocal","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated esters|SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"Pyrrolizidine alkaloids (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["1732-29-2","1-nitropyren-8-ol;pyren-8-ol, 1-nitro-","c1(O)c2c3c4c(c(N(=O)=O)ccc4ccc3cc1)cc2","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 98(1,8-DNP6)","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Nitro-aromatic|Polycyclic Aromatic Hydrocarbons",1,"Nitro-aromatic|Polycyclic Aromatic Hydrocarbons",1]
["78-95-5","chloroacetone;monochloropropanone;1-chloro-propan-2-one;2-propanone, 1-chloro-;chloropropanone;2-propanone, chloro-;1-chloropropan-2-one;1-chloroacetone","C(C)(=O)CCl","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Equivocal","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups",1,"No alert found",0,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups",1,"Aliphatic halogens",1,"Aliphatic halogen",1]
["21738-42-1","oxaminiquine;6-quinolinemethanol, 1,2,3,4-tetrahydro-2-[[(1-m;oxamniquine;{7-nitro-2-[(propan-2-ylamino)methyl]-1,2,3,4-tetrahydroquinolin-6-yl}methanol;6-quinolinemethanol, 1,2,3,4-tetrahydro-2-(((1-methylethyl)amino)methyl)-7-nitro-;21738-42-1","c1(CO)c(N(=O)=O)cc2c(c1)CCC(CNC(C)C)N2","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro|SN1 >> Nitrenium Ion formation >> Secondary aromatic amine",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["100-17-4","benzene, 1-methoxy-4-nitro-;4-nitrophenol;4-nitroanisole;nitroanisole, 4-;p-nitroanisole;anisole, p-nitro-;1-methoxy-4-nitrobenzene;4-nitrophenyl methylether;100-17-4;me ether","c1(OC)ccc(N(=O)=O)cc1","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Nitro-aromatic",1,"Nitro-aromatic",1]
["479-27-6","1,8-naphthalenediamine;1,8-diaminonaphthalene;1,8-naphthylenediamine;naphthalene-1,8-diamine","c1(N)c2c(N)cccc2ccc1","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Equivocal","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"Primary aromatic amine, hydroxyl amine and its derived esters",1]
["779-02-2","9-methylanthracene;anthracene, 9-methyl-;9-methyl anthracene","c12c(c(C)c3c(cccc3)c1)cccc2","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition",1,"Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1]
["119-32-4","4-amino-2-nitrotoluene;3-nitro-p-toluidine;4-methyl-3-nitro-phenylamine;3-nitro-4-toluidine;4-methyl-3-nitro-aniline;4-methyl-3-nitroaniline;benzenamine, 4-methyl-3-nitro-;p-toluidine, 3-nitro-;119-32-4","c1(C)c(N(=O)=O)cc(N)cc1","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Equivocal","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Nitro-aromatic (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic|Primary aromatic amine,hydroxyl amine and its derived esters",1,"Nitro-aromatic|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["100-29-8","4-nitrophenetole;p-nitrophenetole;benzene, 1-ethoxy-4-nitro-;phenetole, p-nitro-;1-ethoxy-4-nitrobenzene;100-29-8","c1(OCC)ccc(N(=O)=O)cc1","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Nitro-aromatic",1,"Nitro-aromatic",1]
["142-83-6","2,4-hexadienal;trans,trans-2,4-hexadienal;2,4-hexadienal (89% trans,trans-, 11% cis,trans-);trans, trans-2,4-hexadienal;2,4-hexadienal, (e,e)-;sorbaldehyde;hexa-2,4-dienal;2,4-hexadienal, (2e,4e)-;142-83-6","C(=O)C=CC=CC","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Michael addition|Michael addition >> alpha, beta-unsaturated carabonyl compounds|Michael addition >> alpha, beta-unsaturated carabonyl compounds >> Alpha, Beta-Unsaturated Aldehydes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Alpha, Beta-Unsaturated Aldehydes",1,"Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated aldehydes",1,"alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Michael addition|Michael addition >> alpha, beta-unsaturated carabonyl compounds|Michael addition >> alpha, beta-unsaturated carabonyl compounds >> Alpha, Beta-Unsaturated Aldehydes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Alpha, Beta-Unsaturated Aldehydes",1,"alpha,beta-unsaturated carbonyls",1,"alpha,beta-unsaturated carbonyls",1]
["431-03-8","diacetyl;2,3-butanedione;2,3-butanedione (diacetyl);butanedione;dimethyl glyoxal;butane-2,3-dione;2,3-butanedion","C(C)(=O)C(C)=O","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Dicarbonyl Compounds",1,"Schiff base formers|Schiff base formers >> Direct Acting Schiff Base Formers|Schiff base formers >> Direct Acting Schiff Base Formers >> Alpha-beta-dicarbonyl",1,"No alert found",0,"Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Dicarbonyl Compounds",1,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["579-66-8","2,6-diethylaniline;benzenamine, 2,6-diethyl-;aniline, 2,6-diethyl-;579-66-8","c1(CC)c(N)c(CC)ccc1","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"No alert found",0,"No alert found",0,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"No alert found",0,"No alert found",0]
["881-03-8","2-methyl-1-nitronaphthalene;1-nitro-2-methylnaphthalene;naphthalene, 2-methyl-1-nitro-","c1(C)c(N(=O)=O)c2c(cccc2)cc1","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Equivocal","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"Nitro-aromatic",1]
["6358-07-02","2-amino-4-chloro-5-nitrophenol;phenol, 2-amino-4-chloro-5-nitro-","c1(O)c(N)cc(Cl)c(N(=O)=O)c1","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Nitro-aromatic (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic|Primary aromatic amine,hydroxyl amine and its derived esters",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["19686-73-8","2-propanol, 1-bromo-;1-bromo-2-propanol;1-bromopropan-2-ol","C(C)(O)CBr","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Elimination (E2)|Elimination (E2) >> E2 elimination reaction with epoxide formation|Elimination (E2) >> E2 elimination reaction with epoxide formation >> Haloalcohols|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Haloalcohols",1,"SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides",1,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",{"$f":"IF(AA7272=\"No alert found\",0,1)","v":1},"Elimination (E2)|Elimination (E2) >> E2 elimination reaction with epoxide formation|Elimination (E2) >> E2 elimination reaction with epoxide formation >> Haloalcohols|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Haloalcohols",{"$f":"IF(AC7272=\"No alert found\",0,1)","v":1},"Aliphatic halogens",{"$f":"IF(AE7272=\"No alert found\",0,1)","v":1},"Aliphatic halogen",{"$f":"IF(AG7272=\"No alert found\",0,1)","v":1}]
["68-89-3","dipyrone;methanesulfonic acid, (antipyrinylmethylamino)-, monosodium salt;sodium [(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1h-pyrazol-4-yl)methylamino]methanesulphonate;methanesulfonic acid, [(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1h-pyrazol-4-yl)methylamino]-, sodium salt;methanesulfonic acid, [(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1h-pyrazol-4-yl)methylamino]-, sodiu;sodium [(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1h-pyrazol-4-yl)(methyl)amino]methanesulfonate","C1(=O)C(N(C)CS(=O)(=O)O{-}.[Na]{+})=C(C)N(C)N1c1ccccc1","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Equivocal","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Tertiary (unsaturated) heterocyclic amine",1,"alpha,beta-unsaturated carbonyls (Genotox)|Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"alpha,beta-unsaturated carbonyls|Hydrazine",1,"alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor|Hydrazine",1]
["75-96-7","tribromoacetic acid;acetic acid, tribromo-;tribromo-acetic acid;acetic acid, 2,2,2-tribromo-","C(Br)(Br)(Br)C(=O)O","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Equivocal","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups",1,"No alert found",0,"No alert found",0,"Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups",1,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["82-86-0","acenaphthenequinone;1,2-acenaphthylenedione","c12C(=O)C(=O)c3c1c(ccc3)ccc2","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Moderate Quality, Conflict","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Schiff base formers|Schiff base formers >> Direct Acting Schiff Base Formers|Schiff base formers >> Direct Acting Schiff Base Formers >> Alpha-beta-dicarbonyl",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["85-83-6","c.i. solvent red 24;1-(2-methyl-4-(2-methylphenylazo)phenylazo)-2-naphthol;2-naphthalenol, 1-[[2-methyl-4-[(2-methylphenyl)azo]phenyl]azo]-;colouringagentci26105(solventred24)","C1(=O)C(=NNc2c(C)cc(N=Nc3c(C)cccc3)cc2)c2c(C=C1)cccc2","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic azo",1,"Aromatic diazo (Genotox)|Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aromatic diazo|Hydrazine",1,"Aromatic diazo|H-acceptor-path3-H-acceptor|Hydrazine",1]
["91-68-9","3-diethylaminophenol;phenol, 3-(diethylamino)-;3-diethylamino-phenol;phenol, m-(diethylamino)-;3-(diethylamino)phenol;n,ndiethylmaminophenol,whenusedasa substanceinhairdye products;3-(diethylamino)-phenol","c1(O)cc(N(CC)CC)ccc1","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine",1,"Aromatic mono-and dialkylamine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aromatic mono-and dialkylamine",1,"Aromatic mono- and dialkylamine",1]
["96-11-7","1,2,3-tribromopropane;propane, 1,2,3-tribromo-","C(Br)(CBr)CBr","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Equivocal","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation >> Vicinal Dihaloalkanes",1,"SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> 1,2-Dihaloalkanes",1,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aliphatic halogens",1,"Aliphatic halogen",1]
["102-28-3","m-aminoacetanilide;3'-aminoacetanilide;acetamide, n-(3-aminophenyl)-;acetanilide, 3'-amino-;n-(3-aminophenyl)acetamide","c1(N)cc(NC(C)=O)ccc1","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Aromatic N-acyl amine (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aromatic N-acyl amine|Primary aromatic amine,hydroxyl amine and its derived esters",1,"Aromatic N-acyl amine|H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["110-52-1","1.4-dibromobutane;butane, 1,4-dibromo-;1,4-dibromobutane;1,4-butylene bromide","C(Br)CCCBr","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides",1,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aliphatic halogens",1,"Aliphatic halogen",1]
["120-37-6","3-ethylamino-4-methylphenol;3-(ethylamino)-p-cresol;phenol, 3-(ethylamino)-4-methyl-;3-(ethylamino)-4-methylphenol","c1(C)c(NCC)cc(O)cc1","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Alkyl phenols|SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Secondary aromatic amine",1,"Aromatic mono-and dialkylamine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aromatic mono-and dialkylamine",1,"Aromatic mono- and dialkylamine",1]
["134-31-6","8-hydroxyquinoline sulfate;oxyquinolinesulphate;bis(8-hydroxyquinolinium) sulphate;8-quinolinol, sulfate (2:1) (salt);bis(8-hydroxyquinolinium) sulfate;hydroxy8quinolineanditssulphate,except fortheuses providedfor inno51inannex iii;8-quinolinol sulfate","c1(O)c2c(cccn{+}2.O{-}S(=O)(=O)O{-}.n{+}2c3c(O)cccc3ccc2)ccc1","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Equivocal","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["191-24-2","benzo[ghi]perylene;benzo(g,h,i)perylene;benzo(ghi)perylene;benzo[g,h,i]perylene;benzo[<i>ghi</i>]perylene","c12c3c(c4c5c6c(ccc(c36)cc1)ccc5ccc4)ccc2","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"No alert found",0,"Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1]
["484-29-7","dictamnine;furo(2,3-b)quinoline, 4-methoxy-","c12c(c(OC)c3c(cccc3)n1)C=CO2","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Heterocyclic Polycyclic Aromatic Hydrocarbons",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons",1]
["541-59-3","maleimide;1<i>h</i>-pyrrole-2,5-dione","C1(=O)C=CC(=O)N{-}1.[Ag]{+}_C1(=O)C=CC(=O)N{-}1.K{+}","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"alpha,beta-unsaturated carbonyls (Genotox)|Dicarboximide (Nongenotox)|Structural alert for nongenotoxic carcinogenicity|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"No alert found",0,"alpha,beta-unsaturated carbonyls",1,"alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor",1]
["541-69-5","1,3-phenylenediamine dihydrochloride","c1(N)cc(N)ccc1_Cl{-}_Cl{-}_R_R","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"No alert found|SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"Primary aromatic amine, hydroxyl amine and its derived esters",1]
["553-26-4","4,4'-dipyridyl;[4,4']bipyridinyl;4,4’-dipyridyl;4-(4-pyridyl)-pyridine;4,4'-bipyridyl;4,4’-bipyridine;4,4'-bipyridine","c1(-c2ccncc2)ccncc1","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0]
["555-68-0","3-nitrocinnamic acid;(e)-3-(3-nitro-phenyl)-acrylic acid;m-nitrocinnamic acid;m-nitro-cinnamic acid;2-propenoic acid, 3-(3-nitrophenyl)-;(2e)-3-(3-nitrophenyl)prop-2-enoic acid","C(=O)(O)C=Cc1cc(N(=O)=O)ccc1","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["581-50-0","2,3'-dipyridyl;[2,3']bipyridinyl;2,3'-bipyridine;2-(3-pyridyl)pyridine","c1(-c2ccccn2)cccnc1","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0]
["611-33-6","8-chloroquinoline;quinoline, 8-chloro-","c1(Cl)c2c(cccn2)ccc1","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Equivocal","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"No alert found",0]
["632-99-5","magenta","c1(C(c2ccc(N)cc2)=C2C=C(C)C(=N)C=C2)ccc(N)cc1_Cl{-}_R","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","With S9","Equivocal","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Specific Imine and Thione Derivatives|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN2|SN2 >> Diazonium ion formation|SN2 >> Diazonium ion formation >> Specific Imine and Thione Derivatives",1,"No alert found|SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Specific Imine and Thione Derivatives|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN2|SN2 >> Diazonium ion formation|SN2 >> Diazonium ion formation >> Specific Imine and Thione Derivatives",1,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"Primary aromatic amine, hydroxyl amine and its derived esters",1]
["789-47-9","2-aminochrysene;chrysene-2-amine;chrysen-2-amine","c12c(c3c(c4c(cc(N)cc4)cc3)cc1)cccc2","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Polycyclic Aromatic Hydrocarbons (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons|Primary aromatic amine,hydroxyl amine and its derived esters",1,"Polycyclic Aromatic Hydrocarbons|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["918-00-3","1,1,1-trichloropropanone;1,1,1-trichloroacetone;chloral, anhydrous;2-propanone, 1,1,1-trichloro-;1,1,1-trichloro-2-propanone","C(Cl)(Cl)(Cl)C(C)=O","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups",1,"No alert found",0,"Alkyl halides (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups",1,"No alert found",0,"No alert found",0]
["1103-38-4","c.i. pigment red 49, barium salt (2:1)","C1(=O)C(=NNc2c(S(=O)(=O)O{-}.[Ba]{2+}.O{-}S(=O)(=O)c3c4c(ccc3NN=C3c5c(C=CC3=O)cccc5)cccc4)c3c(cccc3)cc2)c2c(C=C1)cccc2","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Hydrazine",1,"H-acceptor-path3-H-acceptor|Hydrazine",1]
["1229-55-6","c.i. solvent red 1;1-[(2-methoxyphenyl)azo]-2-naphthol;2-naphthalenol, 1-[(2-methoxyphenyl)azo]-;solventred1(ci12150),whenusedasa substanceinhairdye products","C1(=O)C(=NNc2c(OC)cccc2)c2c(C=C1)cccc2","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Hydrazine",1,"H-acceptor-path3-H-acceptor|Hydrazine",1]
["1271-24-5","bis(cyclopentadienyl)chromium;chromocene;bis(?5-cyclopenta-2,4-dien-1-yl)chromium;chromium(2+) dicyclopenta-2,4-dienide","C1C=CC{-}(.[Cr]{2+}.C{-}2C=CC=C2)C=1","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality, Conflict","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Metals, oxidative stress (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"No alert found",0]
["1277-43-6","cobaltocene;cobalt(2+) dicyclopenta-2,4-dienide","C1C=CC{-}(.[Co]{2+}.C{-}2C=CC=C2)C=1","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality, Conflict","NO","Romualdo Benigni","With S9","Equivocal","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Metals, oxidative stress (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"No alert found",0]
["1421-63-2","2'4'5'-trihydroxybutyrophenone;2,4,5-trihydroxybutyrophenone;2',4',5'-trihydroxybutyrophenone;1-butanone, 1-(2,4,5-trihydroxyphenyl)-;1-(2,4,5-trihydroxyphenyl)butan-1-one","C(=O)(c1c(O)cc(O)c(O)c1)CCC","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Equivocal","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["1468-95-7","9-(hydroxymethyl)anthracene;9-anthracenemethanol;anthracen-9-ylmethanol","c12c(c(CO)c3c(cccc3)c1)cccc2","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Equivocal","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition",1,"Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1]
["1520-21-4","4-aminostyrene;benzenamine, 4-ethenyl-;4-vinylaniline;aniline, p-vinyl-;4-ethenylaniline","c1(C=C)ccc(N)cc1","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Equivocal","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"Primary aromatic amine, hydroxyl amine and its derived esters",1]
["1767-28-8","1-nitropyren-6-ol;pyren-6-ol, 1-nitro-","c1(O)c2c3c4c(c(N(=O)=O)ccc4cc2)ccc3cc1","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 98(1,8-DNP6)","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Nitro-aromatic|Polycyclic Aromatic Hydrocarbons",1,"Nitro-aromatic|Polycyclic Aromatic Hydrocarbons",1]
["2212-99-9","marasmic acid","C1(=O)C23C(C(C=O)=CC4C2CC(C)(C)C4)(C(O)O1)C3","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Michael addition|Michael addition >> alpha, beta-unsaturated carabonyl compounds|Michael addition >> alpha, beta-unsaturated carabonyl compounds >> Four- and Five-Membered Lactones|SN2|SN2 >> Ring opening SN2 reaction|SN2 >> Ring opening SN2 reaction >> Four- and Five-Membered Lactones",1,"Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated aldehydes",1,"Simple aldehyde (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Simple aldehyde",1,"H-acceptor-path3-H-acceptor|Oxolane|Simple aldehyde",1]
["2508-23-8","n-hydroxy-n-acetyl-2-aminonaphthalene;acetamide, n-hydroxy-n-2-naphthalenyl- (9ci)","c12c(cc(N(O)C(C)=O)cc1)cccc2","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Equivocal","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> N-hydroxylamines",1,"No alert found",0,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["2602-46-2","c.i. direct blue 6","C1(S(=O)(=O)O{-}.[Na]{+})C(=NNc2ccc(-c3ccc(NN=C4C(=O)c5c(C=C4S(=O)(=O)O{-}.[Na]{+})cc(S(=O)(=O)O{-}.[Na]{+})cc5N)cc3)cc2)C(=O)c2c(N)cc(S(=O)(=O)O{-}.[Na]{+})cc2C=1","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Specific Imine and Thione Derivatives|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN2|SN2 >> Diazonium ion formation|SN2 >> Diazonium ion formation >> Specific Imine and Thione Derivatives",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Specific Imine and Thione Derivatives|SN2|SN2 >> Diazonium ion formation|SN2 >> Diazonium ion formation >> Specific Imine and Thione Derivatives",1,"Hydrazine",1,"H-acceptor-path3-H-acceptor|Hydrazine",1]
["2646-17-5","c.i. solvent orange 2;1-[(2-methylphenyl)azo]-2-naphthol;2-naphthalenol, 1-[(2-methylphenyl)azo]-","C1(=O)C(=NNc2c(C)cccc2)c2c(C=C1)cccc2","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Equivocal","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Hydrazine",1,"H-acceptor-path3-H-acceptor|Hydrazine",1]
["2835-95-2","3-amino-6-methylphenol;5-amino-o-cresol;4-amino-2-hydroxytoluene;phenol, 5-amino-2-methyl-;o-cresol, 5-amino-;5-amino-2-methylphenol;2835-95-2","c1(C)c(O)cc(N)cc1","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Alkyl phenols|SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"Primary aromatic amine, hydroxyl amine and its derived esters",1]
["3118-97-6","c.i. solvent orange 7;1-(2,4-dimethylphenylazo)-2-naphthol;2-naphthalenol, 1-[(2,4-dimethylphenyl)azo]-;colouringagentci12140","C1(=O)C(=NNc2c(C)cc(C)cc2)c2c(C=C1)cccc2","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",{"$f":"IF(W7307=\"No alert found\",0,1)","v":0},"No alert found",0,"Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Hydrazine",1,"H-acceptor-path3-H-acceptor|Hydrazine",1]
["3129-91-7","dicyclohexylamine nitrite","HN{+}(C1CCCCC1)(C1CCCCC1).O{-}N=O","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["3682-19-7","4-nitrophthalhydrazide;6-nitrophthalhydrazide","C1(=O)c2c(C(=O)NN1)cc(N(=O)=O)cc2","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Hydrazine (Genotox)|Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Hydrazine|Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Hydrazine|Nitro-aromatic",1]
["3697-30-1","7-ethylbenz[a]anthracene;7-ethylbenz(a)anthracene;benz(a)anthracene, 7-ethyl-","c12c(c(CC)c3c(c4c(cccc4)cc3)c1)cccc2","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Moderate Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition|SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1",1,"Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1]
["3778-76-5","ecarazine hydrochloride","c1(NNC(=O)OCC)c2c(cccc2)cnn1_Cl{-}_R","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","With S9","Equivocal","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Hydrazine",1,"H-acceptor-path3-H-acceptor|Hydrazine",1]
["4569-77-1","2-amino-3-hydroxyphenazine;2-phenazinol, 3-amino-","C1(N)C(=O)C=C2C(C=1)=Nc1c(cccc1)N2","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinoneimine Derivatives|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|Radical >> ROS formation after GSH depletion >> Quinoneimine Derivatives|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"No alert found",0,"alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinoneimine Derivatives|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Quinoneimine Derivatives",1,"alpha,beta-unsaturated carbonyls",1,"alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor",1]
["4719-04-04","hexahydro-1,3,5-tris(hydroxyethyl)triazine;1,3,5-triazine-1,3,5(2h,4h,6h)-triethanol;grotan bk;2,2',2''-(hexahydro-1,3,5-triazine-1,3,5-triyl)triethanol;s-triazine-1,3,5(2h,4h,6h)-triethanol;triazinetriethanol;2,2',2''-(1,3,5-triazinane-1,3,5-triyl)triethanol;grotan (milidin x-2 formulation);grotan (triadine 10 microbiostat);grotan;hexahydro-1,3,5-tris(2-hydroxyethyl)-1,3,5-triazine","C(O)CN1CN(CCO)CN(CCO)C1","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Equivocal","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["5355-16-8","diaveridine;2,4-nh2-5(3,4-dimeobz)pyrimidine;5-(3,4-dimethoxybenzyl)pyrimidine-2,4-diamine;2,4-pyrimidinediamine, 5-[(3,4-dimethoxyphenyl)methyl]-;2,4-pyrimidinediamine, 5-((3,4-dimethoxyphenyl)methyl)-","c1(OC)c(OC)cc(Cc2c(N)nc(N)nc2)cc1","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Equivocal","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["5408-55-9","2,7-dinitrodibenzofuran;dibenzofuran, 2,7-dinitro-","c12-c3c(cc(N(=O)=O)cc3)Oc1ccc(N(=O)=O)c2","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Heterocyclic Polycyclic Aromatic Hydrocarbons|Nitro-aromatic",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons|Nitro-aromatic",1]
["5443-49-2","alpha-bromocinnamaldehyde;a-bromocinnamaldehyde;2-bromocinnamaldehyde;2-propenal, 2-bromo-3-phenyl-;(2e)-3-(2-bromophenyl)prop-2-enal;2-propenal, 2-bromo-3-phenyl- (9ci)","c1(C=C(Br)C=O)ccccc1","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Moderate Quality, Conflict","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Michael addition|Michael addition >> alpha, beta-unsaturated carabonyl compounds|Michael addition >> alpha, beta-unsaturated carabonyl compounds >> Alpha, Beta-Unsaturated Aldehydes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Alpha, Beta-Unsaturated Aldehydes|SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives",1,"No alert found",0,"No alert found",0,"Michael addition|Michael addition >> alpha, beta-unsaturated carabonyl compounds|Michael addition >> alpha, beta-unsaturated carabonyl compounds >> Alpha, Beta-Unsaturated Aldehydes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Alpha, Beta-Unsaturated Aldehydes|SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives",1,"No alert found",0,"No alert found",0]
["7200-25-1","arginine;dl-arginine","C(=O)(O)C(N)CCCN=C(N)N","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Equivocal","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["7696-12-0","tetramethrin;phthalthrin;(1,3-dioxo-1,3,4,5,6,7-hexahydro-2h-isoindol-2-yl)methyl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate;cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, (1,3,4,5,6,7-hexahydro-1,3-dioxo-2h-isoindol-2-yl)methyl ester;(1,3,4,5,6,7-hexahydro-1,3-dioxo-2h-isoindol-2-yl)methyl ester 2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylic acid;2,2-dimethyl-3-(2-methylpropenyl)cyclopropanecarboxylic acid, ester with n-(hydroxymethyl)-1-cyclohexene-1,2-dicarboximide or 1-cyclohexene-1,2-dicarboximidomethyl 2,2-dimethyl-3-(2-methylpropenyl)cyclopropanecarboxylate","C1(=O)C2=C(C(=O)N1COC(=O)C1C(C)(C)C1C=C(C)C)CCCC2","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Equivocal","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"alpha,beta-unsaturated carbonyls (Genotox)|Dicarboximide (Nongenotox)|Structural alert for nongenotoxic carcinogenicity|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"No alert found",0,"alpha,beta-unsaturated carbonyls",1,"alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor",1]
["7722-84-1","hydrogen peroxide;hydrogen peroxide (h2o2);hydrogen peroxide/peroxyacetic acid mixture;hydrogen peroxide/peracetic acid (proxitane);hydrogen peroxide/peracetic acid (vigor ox)","OO","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["7758-97-6","lead chromate;chromic acid (h2cro4), lead(2++) salt (1:1);chromic acid (h2cro4), lead(2+) salt (1:1);lead(2+) dioxido(dioxo)chromium;chromic acid, lead (2+) salt (1:1)","O=[Cr]1(=O)O{-}.[Pb]{2+}.O{-}1","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Equivocal","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Metals, oxidative stress (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"No alert found",0]
["14320-05-9","cis-dichlorobis(2,2'-bipyridyl)chromium(iii)","c1ccccn1_c1ccccn1_Cl{-}.[Cr]{2+}.Cl{-}","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Inconclusive","CCRIS database,Toxnet databases","TA 102","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Metals, oxidative stress (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"No alert found",0]
["15978-91-3","cis-dibromodiammineplatinum(ii)","Br{-}.[Pt]{2+}.Br{-}_N_N","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0]
["16400-63-8","2-bromo-3-chloropropene;2-bromo-3-chloroprop-1-ene;1-propene, 2-bromo-3-chloro-","C(=C)(Br)CCl","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Equivocal","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives",1,"No alert found",0,"Aliphatic halogens (Genotox)|Monohaloalkene (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives",1,"Aliphatic halogens|Monohaloalkene",1,"Aliphatic halogen|Monohaloalkene",1]
["17369-59-4","3-propylidene phthalide;3-propylidenephthalide;1(3h)-isobenzofuranone, 3-propylidene-;phthalide, 3-propylidene-;3-propylidene-2-benzofuran-1(3h)-one","C1(=O)c2c(C(=CCC)O1)cccc2","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Equivocal","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["19287-45-7","diborane;diborane(6)","HB(H)B(H)H","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0]
["20265-97-8","p-anisidine hydrochloride","c1(OC)ccc(N)cc1_Cl{-}_R","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","With S9","Equivocal","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"No alert found|SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"Primary aromatic amine, hydroxyl amine and its derived esters",1]
["23834-30-2","n,n,n'-trimethyl-n'-nitroso-1,2-ethanediamine;methylnitrosamino-n,n-dimethylethylamine;n,n,n'-trimethyl-n'-nitrosoethane-1,2-diamine;1,2-ethanediamine, n,n,n'-trimethyl-n'-nitroso-","C(CN(C)C)N(C)N=O","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Equivocal","CCRIS database,Toxnet databases","TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2",1,"Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"Alkyl and aryl N-nitroso groups",1,"Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor",1]
["26002-80-2","sumithrin;fenothrin;phenothrin;d-phenothrin;3-phenoxybenzyl 2-dimethyl-3-(methylpropenyl)cyclopropanecarboxylate;3-phenoxybenzyl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate;cyclopropane carboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, (3-phenoxyphenyl)methyl ester;2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylic acid (3-phenoxyphenyl)methyl ester;d-phenothrin (sumithrin);cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, 3-(phenoxyphenyl)methyl ester, cis,trans-(+/-)-","C(=O)(C1C(C)(C)C1C=C(C)C)OCc1cc(Oc2ccccc2)ccc1","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Equivocal","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"1-phenoxy-benzene|H-acceptor-path3-H-acceptor",1]
["26227-73-6","4-methoxybenzilidine-4'-n-butylaniline;n-(4'-methoxybenzylidene)-4-butylaniline;4-methoxybenzilidine-4'-n-butylaniline (mbba);benzenamine, 4-butyl-n-[(4-methoxyphenyl)methylene]-;benzenamine, 4-butyl-n- (4-methoxyphenyl)methylene -;aniline, p-butyl-n-(p-methoxybenzylidene)-;benzenamine, 4-butyl-n-((4-methoxyphenyl)methylene)-;4-butyl-n-[(e)-(4-methoxyphenyl)methylidene]aniline;benzeneamine, 4-butyl-n-((4-methoxyphenyl)methylene)- (9ci)","c1(C=Nc2ccc(CCCC)cc2)ccc(OC)cc1","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Equivocal","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0]
["26447-40-5","methylenediphenyl diisocyanate;benzene, 1,1'-methylenebis(isocyanato-","c1(N=C=O)ccc(Cc2ccc(N=C=O)cc2)cc1","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Moderate Quality, Conflict","NO","Romualdo Benigni","With S9","Equivocal","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Acylation|Acylation >> Isocyanates and Isothiocyanates|Acylation >> Isocyanates and Isothiocyanates >> Isocyanates",1,"Isocyanate and isothiocyanate groups (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Isocyanate and isothiocyanate groups|Primary aromatic amine,hydroxyl amine and its derived esters",1,"Isocyanate and isothiocyanate groups|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["28322-02-3","4-acetylaminofluorene;n-9h-fluoren-4-ylacetamide;4-acetylaminofluorene (4-aaf);n-(9h-fluoren-4-yl)acetamide;acetamide, n-9h-fluoren-4-yl- (9ci)","c12-c3c(NC(C)=O)cccc3Cc1cccc2","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Equivocal","CCRIS database,Toxnet databases","TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Aromatic N-acyl amine (Genotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aromatic N-acyl amine|Polycyclic Aromatic Hydrocarbons",1,"Aromatic N-acyl amine|H-acceptor-path3-H-acceptor|Polycyclic Aromatic Hydrocarbons",1]
["29767-20-2","teniposide;(8ar,9r)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl 4,6-o-(thiophen-2-ylmethylidene)-beta-d-glucopyranoside;furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5ah)-one, 5,8,8a,9-tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)-9-[[4,6-o-(2-thienylmethylene)-.beta.-d-glucopyranosyl]oxy]-, [5r-[5.alpha.,5a.beta.,8a.alpha.,9.beta.(r*)]]-","c1(OC)c(O)c(OC)cc(C2c3c(C(OC4C(O)C(O)C5C(COC(C6=CC=CS6)O5)O4)C4C2C(=O)OC4)cc2c(c3)OCO2)c1","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","Without S9","Inconclusive","CCRIS database,Toxnet databases","TA 102","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Michael addition|Michael addition >> alpha, beta-unsaturated carabonyl compounds|Michael addition >> alpha, beta-unsaturated carabonyl compounds >> Four- and Five-Membered Lactones|SN2|SN2 >> Ring opening SN2 reaction|SN2 >> Ring opening SN2 reaction >> Four- and Five-Membered Lactones",1,"Michael addition|Michael addition >> P450 Mediated Activation of Heterocyclic Ring Systems|Michael addition >> P450 Mediated Activation of Heterocyclic Ring Systems >> Thiophenes-Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones|SN2|SN2 >> P450 Mediated Epoxidation|SN2 >> P450 Mediated Epoxidation >> Thiophenes-SN2",1,"1,3-Benzodioxoles (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"1,3-dialkoxy-benzene|H-acceptor-path3-H-acceptor|Oxolane",1]
["31431-39-7","mebendazole;carbamic acid, (5-benzoyl-1h-benzimidazol-2-yl)-, methyl ester;methyl [5-(phenylcarbonyl)-1h-benzimidazol-2-yl]carbamate;(5-benzoyl-1h-benzimidazol-2-yl)carbamic acid methyl ester","c1(C(=O)c2cc3c(cc2)N=C(NC(=O)OC)N3)ccccc1","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Alkyl carbamate and thiocarbamate (Genotox)|Imidazole, benzimidazole (Nongenotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"No alert found",0,"Alkyl carbamate and thiocarbamate",1,"Alkyl carbamate and thiocarbamate|H-acceptor-path3-H-acceptor",1]
["33037-07-9","1-bromo-2,3-dichloropropane","C(Cl)(CCl)CBr","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Equivocal","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation >> Vicinal Dihaloalkanes",1,"SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> 1,2-Dihaloalkanes",1,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aliphatic halogens",1,"Aliphatic halogen",1]
["37515-51-8","6-hydroxychrysene","c1(O)c2c(c3c(c4c(cccc4)cc3)c1)cccc2","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Equivocal","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1",1,"Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1]
["42016-93-3","2-chloro-4-iodoaniline","c1(N)c(Cl)cc(I)cc1","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Equivocal","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",{"$f":"IF(AA7336=\"No alert found\",0,1)","v":1},"No alert found",{"$f":"IF(AC7336=\"No alert found\",0,1)","v":0},"Primary aromatic amine,hydroxyl amine and its derived esters",{"$f":"IF(AE7336=\"No alert found\",0,1)","v":1},"Primary aromatic amine, hydroxyl amine and its derived esters",{"$f":"IF(AG7336=\"No alert found\",0,1)","v":1}]
["51483-39-7","1,3-dichloro-2-bromopropane;propane, 2-bromo-1,3-dichloro-","C(Br)(CCl)CCl","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Equivocal","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation >> Vicinal Dihaloalkanes",1,"SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> 1,2-Dihaloalkanes",1,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aliphatic halogens",1,"Aliphatic halogen",1]
["51483-40-0","1,3-dibromo-2-chloropropane;propane, 2-chloro-1,3-dibromo-","C(Cl)(CBr)CBr","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Equivocal","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation >> Vicinal Dihaloalkanes",1,"SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> 1,2-Dihaloalkanes",1,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aliphatic halogens",1,"Aliphatic halogen",1]
["51857-25-1","2,2',6,6'-tetranitro-4,4'-azoxytoluene","c1(N(=O)=O)c(C)c(N(=O)=O)cc(N{-}N{+}(=O)c2cc(N(=O)=O)c(C)c(N(=O)=O)c2)c1","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality, Conflict","NO","Romualdo Benigni","With S9","Equivocal","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Nitro-aromatic",1,"Nitro-aromatic",1]
["56258-32-3","altertoxin i","C12(O)c3c(-c4c5c(C(=O)CC(O)C15)c(O)cc4)ccc(O)c3C(=O)CC2","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["57090-45-6","(r)-3-chloro-1,2-propanediol;1,2-propanediol, 3-chloro-, (2r)-","C(O)(CO)CCl","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Elimination (E2)|Elimination (E2) >> E2 elimination reaction with epoxide formation|Elimination (E2) >> E2 elimination reaction with epoxide formation >> Haloalcohols|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Haloalcohols",1,"SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides",1,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Elimination (E2)|Elimination (E2) >> E2 elimination reaction with epoxide formation|Elimination (E2) >> E2 elimination reaction with epoxide formation >> Haloalcohols|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Haloalcohols",1,"Aliphatic halogens",1,"Aliphatic halogen|H-acceptor-path3-H-acceptor",1]
["59363-17-6","p-chlorophenylbutylene oxide;oxirane, 2-[2-(4-chlorophenyl)ethyl]-","c1(Cl)ccc(CCC2CO2)cc1","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","Without S9","Equivocal","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides",1,"Epoxides and aziridines (Genotox)|Halogenated benzene (Nongenotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Epoxides and aziridines",1,"Epoxides and aziridines",1]
["59464-43-6","(benzenamine)chloro(1,5-cyclooctadiene)rhodium","[Rh]_c1(N)ccccc1_C1=CCCC=CCC1_Cl","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Equivocal","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"No alert found|SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"Primary aromatic amine, hydroxyl amine and its derived esters",1]
["60827-45-4","(s)-3-chloro-1,2-propanediol;1,2-propanediol, 3-chloro-, (2s)-","C(O)(CO)CCl","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Elimination (E2)|Elimination (E2) >> E2 elimination reaction with epoxide formation|Elimination (E2) >> E2 elimination reaction with epoxide formation >> Haloalcohols|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Haloalcohols",1,"SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides",1,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Elimination (E2)|Elimination (E2) >> E2 elimination reaction with epoxide formation|Elimination (E2) >> E2 elimination reaction with epoxide formation >> Haloalcohols|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Haloalcohols",1,"Aliphatic halogens",1,"Aliphatic halogen|H-acceptor-path3-H-acceptor",1]
["61396-61-0","p-biphenylbutylene oxide","c1(-c2ccc(CCC3CO3)cc2)ccccc1","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Equivocal","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides",1,"Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Epoxides and aziridines",1,"Epoxides and aziridines",1]
["62625-14-3","2-amino-6-chloro-4-nitrophenol hydrochloride;2-amino-6-chloro-4-nitrophenol monohydrochloride;phenol, 2-amino-6-chloro-4-nitro-, monohydrochloride","HN{+}(H)(.Cl{-})c1c(O)c(Cl)cc(N(=O)=O)c1","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["62674-12-8","3,4-dichloro-2(5h)-furanone","C1(=O)C(Cl)=C(Cl)CO1","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Equivocal","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Acylation|Acylation >> Acyl transfer via nucleophilic addition reaction|Acylation >> Acyl transfer via nucleophilic addition reaction >> Haloalkenes with Electron-Withdrawing Groups|SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Haloalkenes with Electron-Withdrawing Groups|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Haloalkenes with Electron-Withdrawing Groups|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives",1,"No alert found",0,"alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Acylation|Acylation >> Acyl transfer via nucleophilic addition reaction|Acylation >> Acyl transfer via nucleophilic addition reaction >> Haloalkenes with Electron-Withdrawing Groups|SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Haloalkenes with Electron-Withdrawing Groups|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Haloalkenes with Electron-Withdrawing Groups|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives",1,"alpha,beta-unsaturated carbonyls",1,"alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor",1]
["63019-38-5","1-hydroxychrysene","c1(O)c2c(c3c(c4c(cccc4)cc3)cc2)ccc1","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Equivocal","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1",1,"Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1]
["65945-06-4","2-hydroxychrysene","c12c(c3c(c4c(cc(O)cc4)cc3)cc1)cccc2","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Equivocal","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1",1,"Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1]
["67411-86-3","5-hydroxymethylchrysene","c12c(c3c(c4c(cc3CO)cccc4)cc1)cccc2","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Equivocal","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1",1,"Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1]
["71400-34-5","2,8-dinitrodibenzo-p-dioxin;dibenzo(b,e)(1,4)dioxin, 2,8-dinitro-","c12c(cc(N(=O)=O)cc1)Oc1c(ccc(N(=O)=O)c1)O2","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"1-phenoxy-benzene|H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["71711-58-5","7-amino-5,6-dimethylbenz[c]acridine;benz(c)acridin-7-amine, 5,6-dimethyl-","c12c(c(N)c3c(c4c(c(C)c3C)cccc4)n1)cccc2","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition|SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Heterocyclic Polycyclic Aromatic Hydrocarbons|Primary aromatic amine,hydroxyl amine and its derived esters",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["80115-73-7","n-hydroxy-n-propionyl-4-aminobiphenyl;propanamide, n-(1,1'-biphenyl)-4-yl-n-hydroxy-","c1(-c2ccc(N(O)C(=O)CC)cc2)ccccc1","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Equivocal","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> N-hydroxylamines",1,"No alert found",0,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> N-hydroxylamines",1,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["83463-62-1","bromochloroacetic acid;bromochloroacetonitrile;(±)-form, nitrile","C(#N)C(Cl)Br","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups",1,"No alert found",0,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups",1,"Aliphatic halogens",1,"Aliphatic halogen",1]
["84987-77-9","3-(2-chloroethoxy)-1,2-dichloropropene","C(Cl)(=CCl)COCCCl","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Equivocal","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Heteroatom",1,"SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides",1,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aliphatic halogens",1,"Aliphatic halogen",1]
["85723-20-2","pd 108298","C1(C)C(C(=O)c2c(F)cccc2)=C(NC(=O)CNCCCN2C(C)CCCC2)N(C)N=1","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Equivocal","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"alpha,beta-unsaturated carbonyls (Genotox)|Halogenated benzene (Nongenotox)|Hydrazine (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"No alert found",0,"alpha,beta-unsaturated carbonyls|Hydrazine",1,"alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor|Hydrazine",1]
["85747-92-8","pd 109394","C1(C)C(C(=O)c2c(F)cccc2)=C(NC(=O)CN(CC)CC)N(C)N=1","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Equivocal","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"alpha,beta-unsaturated carbonyls (Genotox)|Halogenated benzene (Nongenotox)|Hydrazine (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"No alert found",0,"alpha,beta-unsaturated carbonyls|Hydrazine",1,"alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor|Hydrazine",1]
["89021-88-5","1-(glutathion-s-yl)-1,2,3,4,4-pentachloro-1,3-butadiene;glycine, n-(n-l-gamma-glutamyl-s-(1,2,3,4,4-pentachloro-1,3-butadienyl)-l-cysteinyl)-","C(Cl)(C(Cl)=C(Cl)SCC(C(=O)NCC(=O)O)NC(=O)CCC(N)C(=O)O)=C(Cl)Cl","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","Without S9","Equivocal","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives",1,"No alert found",0,"Structural alert for nongenotoxic carcinogenicity|Trichloro (or fluoro) ethylene and Tetrachloro (or fluoro) ethylene (Nongenotox)",1,"SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives",1,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["91575-29-0","n,n'-diacetyl-4,4'-methylenebis(2-chloroaniline);acetamide, n,n'-(methylenebis(2-chloro-4,1-phenylene))bis-","c1(NC(C)=O)c(Cl)cc(Cc2cc(Cl)c(NC(C)=O)cc2)cc1","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Equivocal","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found",0,"Aromatic N-acyl amine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aromatic N-acyl amine",1,"Aromatic N-acyl amine|H-acceptor-path3-H-acceptor",1]
["93251-90-2","dichloro(mu-(n-(2-propenyl)benzenamine-n))bis(n-(2-propenyl)benzenamine-n)di(rhodium)","[Rh]_[Rh]_c1(NCC=C)ccccc1_c1(NCC=C)ccccc1_c1(NCC=C)ccccc1_Cl_Cl","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Equivocal","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"No alert found|SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Secondary aromatic amine",1,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0]
["98033-21-7","3-methyl-3h-naphth[1,2-e]indol-10-ol;3h-naphth(1,2-e)indol-10-ol, 3-methyl-","c12c(c3c4c(ccc(O)c4)ccc3cc1)C=CN2C","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Equivocal","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"No alert found",0,"Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons|Polycyclic Aromatic Hydrocarbons",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons|Polycyclic Aromatic Hydrocarbons",1]
["106264-79-3","ethacure 300;1,3-benzenediamine, 2(or 4)-methyl-4,6(or 2,6)-bis(methylthio)-;a mixture of: 3,5-dimethylthio-2,4-toluenediamine;3,5-dimethylthio-2,6-toluenediamine","c1(SC)c(N)c(C)c(N)c(SC)c1","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Moderate Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"No alert found",0,"No alert found",0,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"No alert found",0,"No alert found",0]
["111990-49-9","p-methylphenylbutylene oxide","c1(C)ccc(CCC2CO2)cc1","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Equivocal","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes|SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides",1,"Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Epoxides and aziridines",1,"Epoxides and aziridines",1]
["118745-13-4","n-hydroxy-n-propionyl-2-aminonaphthalene","c12c(cc(N(O)C(=O)CC)cc1)cccc2","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Equivocal","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> N-hydroxylamines",1,"No alert found",0,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> N-hydroxylamines",1,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["119525-97-2","pilatin;2-hexenoic acid, 5a,7,8,8a-tetrahydro-3,5a-dihydroxy-7,7-dimethyl-4-formyl-1-oxo-3h,6h,3a,8b-methano-1h-indeno(4,5-c)furan-6-yl ester, (3s-(3-alpha,3a-beta,5a-beta,6-alpha(e),8a-beta,9b-beta))-","C1(=O)C23C(C(C=O)=CC4(O)C(OC(=O)C=CCCC)C(C)(C)CC24)(C(O)O1)C3","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","Without S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Michael addition|Michael addition >> alpha, beta-unsaturated carabonyl compounds|Michael addition >> alpha, beta-unsaturated carabonyl compounds >> Four- and Five-Membered Lactones|SN2|SN2 >> Ring opening SN2 reaction|SN2 >> Ring opening SN2 reaction >> Four- and Five-Membered Lactones",1,"Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated aldehydes|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated esters",1,"alpha,beta-unsaturated carbonyls (Genotox)|Simple aldehyde (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"alpha,beta-unsaturated carbonyls|Simple aldehyde",1,"alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor|Oxolane|Simple aldehyde",1]
["120065-51-2","p-benzylphenylpropylene oxide","c1(CC2CO2)ccc(Cc2ccccc2)cc1","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Equivocal","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes|SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides",1,"Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Epoxides and aziridines",1,"Epoxides and aziridines",1]
["122551-89-7","3-chloro-4-(dichloromethyl)-2(5h)-furanone;3-chloro-4-(dichloromethyl)-2-(5h)-furanone;2(5h)-furanone, 3-chloro-4-(dichloromethyl)-","C1(=O)C(Cl)=C(C(Cl)Cl)CO1","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","High Quality","NO","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives",1,"No alert found",0,"Aliphatic halogens (Genotox)|alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives",1,"Aliphatic halogens|alpha,beta-unsaturated carbonyls",1,"Aliphatic halogen|alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor",1]
["127072-60-0","10-hydroxy-(2,4,6,8)dodecatetraenal","C(=O)C=CC=CC=CC=CC(O)CC","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","Without S9","Equivocal","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Michael addition|Michael addition >> alpha, beta-unsaturated carabonyl compounds|Michael addition >> alpha, beta-unsaturated carabonyl compounds >> Alpha, Beta-Unsaturated Aldehydes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Alpha, Beta-Unsaturated Aldehydes",1,"Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated aldehydes",1,"alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Michael addition|Michael addition >> alpha, beta-unsaturated carabonyl compounds|Michael addition >> alpha, beta-unsaturated carabonyl compounds >> Alpha, Beta-Unsaturated Aldehydes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Alpha, Beta-Unsaturated Aldehydes",1,"alpha,beta-unsaturated carbonyls",1,"alpha,beta-unsaturated carbonyls",1]
["142438-58-2","4-ethyl-3-(methoxycarbonyl)-5-methyl-3,4-epoxy-gamma-butyrolactone","C(=O)(C12C(CC)(C(C)OC1=O)O2)OC","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Equivocal","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Michael addition|Michael addition >> alpha, beta-unsaturated carabonyl compounds|Michael addition >> alpha, beta-unsaturated carabonyl compounds >> Four- and Five-Membered Lactones|SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines|SN2 >> Ring opening SN2 reaction|SN2 >> Ring opening SN2 reaction >> Four- and Five-Membered Lactones",1,"No alert found",0,"Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Epoxides and aziridines",1,"Epoxides and aziridines|H-acceptor-path3-H-acceptor|Oxolane",1]
["142438-63-9","3-carbamoyl-3,4-epoxy-4-ethyl-5-hydroxy-5-methyl-gamma-butyrolatone","C(=O)(C12C(CC)(C(C)(O)NC1=O)O2)OC","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Equivocal","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"No alert found",0,"Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Epoxides and aziridines",1,"Epoxides and aziridines|H-acceptor-path3-H-acceptor",1]
["142438-64-0","4-ethyl-3-(methoxycarbonyl)-5-methyl-3,4-didehydro-gamma-butyrolactone;3-furancarboxylic acid, 2,5-dihydro-4-ethyl-5-methyl-2-oxo-, methyl ester","C(=O)(C1C(=O)OC(C)C=1CC)OC","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","NO","Romualdo Benigni","With S9","Equivocal","CCRIS database,Toxnet databases","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",{"$f":"IF(W7371=\"No alert found\",0,1)","v":0},"No alert found",0,"alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"alpha,beta-unsaturated carbonyls",1,"alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor",1]
["220444-51-9","1,3-bis[omega-[diethyl-ortho-nitrobenzylammonio)-pentyl]-6-methyluracil",null,"Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","NO","Romualdo Benigni","With S9","Equivocal","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","(N/A)",1,"(N/A)",1,"(N/A)",1,"(N/A)",1,"(N/A)",1,"(N/A)",1]
["114717-14-5","l-isohistidine","C(=O)(O)C(N)CN1C=CN=C1","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","YES","Romualdo Benigni","With S9","Equivocal","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["149396-88-3","eu 11100;ccris 8250","C(C)(C)(C)c1c(O)c(C(O)C2NC=C(N(=O)=O)N=2C)cc(OC)c1","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","YES","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones|SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Unsaturated heterocyclic nitro",1,"Imidazole, benzimidazole (Nongenotox)|Nitro-aromatic (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["336629-39-1","2,2'-[(2,2'-dimethoxy-5,5'-dipropoxy[1,1'-biphenyl]-4,4'-diyl)di-2-hydrazinyl-1-ylidene]bis[n-(4-nit;butanamide, 2,2'-((2,2'-dimethoxy-5,5'-dipropoxy(1,1'-biphenyl)-4,4'-diyl)di-2-hydrazinyl-1-ylidene)bis(n-(4-nitrophenyl)-3-oxo-","C(=O)(C(C(C)=O)=NNc1c(OCCC)cc(-c2c(OC)cc(NN=C(C(C)=O)C(=O)Nc3ccc(N(=O)=O)cc3)c(OCCC)c2)c(OC)c1)Nc1ccc(N(=O)=O)cc1","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","N/A","YES","Romualdo Benigni","With S9","Positive","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Hydrazine (Genotox)|Nitro-aromatic (Genotox)|o-phenylphenol (Nongenotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"No alert found",0,"Hydrazine|Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Hydrazine|Nitro-aromatic",1]
["9016-87-9","polymethylenepolyphenyl isocyanate;isocyanic acid, polymethylenepolyphenylene ester;polymethylene polyphenylisocyanate","c1(Cc2c(N=C=O)cccc2)c(N=C=O)c(Cc2c(N=C=O)c(Cc3c(N=C=O)cccc3)ccc2)ccc1","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Bacterial mutagenicity ISSSTY","Low Quality","YES","Romualdo Benigni","With S9","Equivocal","CCRIS database,Toxnet databases","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","02.5.2011","No alert found",0,"Acylation|Acylation >> Isocyanates and Isothiocyanates|Acylation >> Isocyanates and Isothiocyanates >> Isocyanates",1,"Isocyanate and isothiocyanate groups (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Isocyanate and isothiocyanate groups|Primary aromatic amine,hydroxyl amine and its derived esters",1,"Isocyanate and isothiocyanate groups|Primary aromatic amine, hydroxyl amine and its derived esters",1]

{"sheet":"CRD_AGES","index":1,"n_rows":187,"n_cols":31,"rows_kept":187}
["CAS","NAME","SMILES","Data","Unit","Duration","Endpoint","Endpoint description","Endpoint position","Database name","QA (CAS-2D)","Assigned SMILES","Data from tautomer structure","Metabolic activation","Strain","Test organisms (species)","Test type","Type of genotoxicity","Type of method","DNA binding by OASIS v.1.1","Score","DNA binding by OECD","Score","Carcinogenicity (genotox and nongenotox) alerts by ISS","Score","DNA alerts for AMES, MN and CA by OASIS v.1.1","Score","in vitro mutagenicity (Ames test) alerts by ISS","Score","in vivo mutagenicity (Micronucleus) alerts by ISS","Score"]
["N/A","metirametu","C1(=S)NCCN1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",{"$f":"IF(T2=\"No alert found\",0,1)","v":1},"No alert found",{"$f":"IF(V2=\"No alert found\",0,1)","v":0},"Structural alert for nongenotoxic carcinogenicity|Thiocarbonyl (Nongenotox)",{"$f":"IF(X2=\"No alert found\",0,1)","v":1},"No alert found",{"$f":"IF(Z2=\"No alert found\",0,1)","v":0},"No alert found",{"$f":"IF(AB2=\"No alert found\",0,1)","v":0},"H-acceptor-path3-H-acceptor",{"$f":"IF(AD2=\"No alert found\",0,1)","v":1}]
["N/A","carbendazim","c12c(cccc1)N=C(NC(=O)OC)N2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","No alert found",0,"No alert found",0,"Alkyl carbamate and thiocarbamate (Genotox)|Imidazole, benzimidazole (Nongenotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"No alert found",0,"Alkyl carbamate and thiocarbamate",1,"Alkyl carbamate and thiocarbamate|H-acceptor-path3-H-acceptor",1]
["N/A","tri-allate","C(Cl)(Cl)=C(Cl)CSC(=O)N(C(C)C)C(C)C","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","No alert found",0,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"Alkyl carbamate and thiocarbamate (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity|Trichloro (or fluoro) ethylene and Tetrachloro (or fluoro) ethylene (Nongenotox)",1,"No alert found",0,"Alkyl carbamate and thiocarbamate",1,"Alkyl carbamate and thiocarbamate|H-acceptor-path3-H-acceptor",1]
["N/A","thiodicarb","C(C)(=NOC(=O)N(C)SN(C)C(=O)ON=C(C)SC)SC","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","YES","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["N/A","dinocap","c1(N(=O)=O)c(OC(=O)C=CC)c(C(C)CCCCCC)cc(N(=O)=O)c1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated esters|SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["N/A","metconazole","C1(C)(C)C(O)(CN2C=NC=N2)C(Cc2ccc(Cl)cc2)CC1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","No alert found",0,"No alert found",0,"Halogenated benzene (Nongenotox)|Hydrazine (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"No alert found",0,"Hydrazine",1,"H-acceptor-path3-H-acceptor|Hydrazine",1]
["N/A","dichlorvos","C(Cl)(Cl)=COP(=O)(OC)OC","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"No alert found",0,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid|H-acceptor-path3-H-acceptor",1]
["N/A","ethephon","C(Cl)CP(=O)(O)O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","No alert found",0,"SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides",1,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aliphatic halogens",1,"Aliphatic halogen|H-acceptor-path3-H-acceptor",1]
["N/A","fenitrothion","c1(N(=O)=O)c(C)cc(OP(=S)(OC)OC)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"Nitro-aromatic",1,"Nitro-aromatic",1]
["N/A","parathion-methyl","c1(OP(=S)(OC)OC)ccc(N(=O)=O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"Nitro-aromatic",1,"Nitro-aromatic",1]
["N/A","phosmet","C1(=O)c2c(C(=O)N1CSP(=S)(OC)OC)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"No alert found",0,"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
[]
[{"$nulls":17},"Carcinogens ","with alerts",null,{"$f":"SUM(U2:U13)","v":6},null,{"$f":"SUM(W2:W13)","v":6},null,{"$f":"SUM(Y2:Y13)","v":9},null,{"$f":"SUM(AA2:AA13)","v":5},null,{"$f":"SUM(AC2:AC13)","v":8},null,{"$f":"SUM(AE2:AE13)","v":11}]
[]
["N/A","sodium pnitrophenolate","c1(O)ccc(N(=O)=O)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",{"$f":"IF(T16=\"No alert found\",0,1)","v":1},"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",{"$f":"IF(V16=\"No alert found\",0,1)","v":1},"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",{"$f":"IF(X16=\"No alert found\",0,1)","v":1},"No alert found",{"$f":"IF(Z16=\"No alert found\",0,1)","v":0},"Nitro-aromatic",{"$f":"IF(AB16=\"No alert found\",0,1)","v":1},"Nitro-aromatic",{"$f":"IF(AD16=\"No alert found\",0,1)","v":1}]
["N/A","2-{1-[(e)-ethoxyimino]-propyl}-3-hydroxy-5-(2,4,6-trimethyl-phenyl)-cyclohex-2-enone;tralkoxydim","C(C1C(=O)CC(c2c(C)cc(C)cc2C)CC=1O)(CC)=NOCC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","No alert found",0,"No alert found",0,"alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"alpha,beta-unsaturated carbonyls",1,"alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor",1]
["N/A","mcpb","c1(OCCCC(=O)O)c(C)cc(Cl)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","No alert found",0,"No alert found",0,"Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["N/A","dicamba","C(=O)(O)c1c(OC)c(Cl)ccc1Cl","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","No alert found",0,"No alert found",0,"Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["N/A","metribuzin","C1(=O)C(C(C)(C)C)=NN=C(SC)N1N","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","Nucleophilic addition|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization >> Hydrazine Derivatives|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Hydrazine Derivatives",1,"No alert found",0,"Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Hydrazine",1,"H-acceptor-path3-H-acceptor|Hydrazine",1]
["N/A","propyzamide","C(=O)(c1cc(Cl)cc(Cl)c1)NC(C)(C)C#C","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["N/A","dicofol","C(Cl)(Cl)(Cl)C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes",1,"No alert found",0,"Alkyl halides (Nongenotox)|Halogenated PAH (naphthalenes, biphenyls, diphenyls) (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes",1,"No alert found",0,"No alert found",0]
["N/A","2,4-db","c1(OCCCC(=O)O)c(Cl)cc(Cl)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["N/A","thiobencarb","c1(Cl)ccc(CSC(=O)N(CC)CC)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","No alert found",0,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"Alkyl carbamate and thiocarbamate (Genotox)|Halogenated benzene (Nongenotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"No alert found",0,"Alkyl carbamate and thiocarbamate",1,"Alkyl carbamate and thiocarbamate|H-acceptor-path3-H-acceptor",1]
["N/A","prohexadione calcium","C(=O)(C1C(=O)CC(C(=O)O)CC1=O)CC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["N/A","diuron","c1(Cl)c(Cl)cc(NC(=O)N(C)C)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic phenylureas",1,"No alert found",0,"SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["N/A","alachlor","c1(CC)c(N(C(=O)CCl)COC)c(CC)ccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","No alert found",0,"No alert found",0,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aliphatic halogens",1,"Aliphatic halogen|H-acceptor-path3-H-acceptor",1]
["N/A","aldicarb","C(C)(C)(C=NOC(=O)NC)SC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["N/A","amitrole","C1(N)N=CNN=1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary (unsaturated) heterocyclic amine",1,"Hydrazine (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Hydrazine|Primary aromatic amine,hydroxyl amine and its derived esters",1,"H-acceptor-path3-H-acceptor|Hydrazine|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["N/A","carbaryl","c1(OC(=O)NC)c2c(cccc2)ccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["N/A","trifluralin","C(F)(F)(F)c1cc(N(=O)=O)c(N(CCC)CCC)c(N(=O)=O)c1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["N/A","s-metolachlor","c1(C)c(N(C(=O)CCl)C(C)COC)c(CC)ccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","YES","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","No alert found",0,"No alert found",0,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aliphatic halogens",1,"Aliphatic halogen|H-acceptor-path3-H-acceptor",1]
["N/A","chlorothalonil","C(#N)c1c(Cl)c(C#N)c(Cl)c(Cl)c1Cl","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0]
["N/A","linuron","c1(Cl)c(Cl)cc(NC(=O)N(C)OC)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["N/A","fluometuron","C(F)(F)(F)c1cc(NC(=O)N(C)C)ccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic phenylureas",1,"No alert found",0,"SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["N/A","thiodicarbmethomyl","C(C)(=NOC(=O)NC)SC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["N/A","cypermethrin","C(#N)C(c1cc(Oc2ccccc2)ccc1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"1-phenoxy-benzene|H-acceptor-path3-H-acceptor",1]
["N/A","pirimicarb","c1(OC(=O)N(C)C)c(C)c(C)nc(N(C)C)n1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","No alert found",0,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine",1,"Aromatic mono-and dialkylamine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aromatic mono-and dialkylamine",1,"Aromatic mono- and dialkylamine|H-acceptor-path3-H-acceptor",1]
["N/A","lambdacyhalothrin","C(F)(F)(F)C(Cl)=CC1C(C)(C)C1C(=O)OC(c1cc(Oc2ccccc2)ccc1)C#N","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","No alert found",0,"No alert found",0,"Monohaloalkene (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Monohaloalkene",1,"1-phenoxy-benzene|H-acceptor-path3-H-acceptor|Monohaloalkene",1]
["N/A","propachlor","c1(N(C(=O)CCl)C(C)C)ccccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","No alert found",0,"No alert found",0,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aliphatic halogens",1,"Aliphatic halogen|H-acceptor-path3-H-acceptor",1]
["N/A","oryzalin","c1(N(=O)=O)c(N(CCC)CCC)c(N(=O)=O)cc(S(N)(=O)=O)c1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Benzenesulfonic ethers, methylation (Nongenotox)|Nitro-aromatic (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"No alert found",0,"Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["N/A","acetochlor","c1(C)c(N(C(=O)CCl)COCC)c(CC)ccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","No alert found",0,"No alert found",0,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aliphatic halogens",1,"Aliphatic halogen|H-acceptor-path3-H-acceptor",1]
["N/A","bifenox","C(=O)(c1c(N(=O)=O)ccc(Oc2c(Cl)cc(Cl)cc2)c1)OC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"1-phenoxy-benzene|H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["N/A","pendimethalin","c1(N(=O)=O)c(NC(CC)CC)c(N(=O)=O)c(C)c(C)c1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["N/A","dimethachlor","c1(C)c(N(C(=O)CCl)CCOC)c(C)ccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","No alert found",0,"No alert found",0,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aliphatic halogens",1,"Aliphatic halogen|H-acceptor-path3-H-acceptor",1]
["N/A","propiconazole","C1(c2c(Cl)cc(Cl)cc2)(CN2C=NC=N2)OC(CCC)CO1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","No alert found",0,"No alert found",0,"Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Hydrazine",1,"H-acceptor-path3-H-acceptor|Hydrazine",1]
["N/A","chlorsulfuron","c1(Cl)c(S(=O)(=O)NC(=O)Nc2nc(C)nc(OC)n2)cccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"Acylation|Acylation >> P450 Mediated Activation to Isocyanates or Isothiocyanates|Acylation >> P450 Mediated Activation to Isocyanates or Isothiocyanates >> Sulfonylureas",1,"Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["N/A","pencycuron","c1(Cl)ccc(CN(C(=O)Nc2ccccc2)C2CCCC2)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic phenylureas",1,"Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["N/A","metazachlor","c1(C)c(N(C(=O)CCl)CN2C=CC=N2)c(C)ccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","No alert found",0,"No alert found",0,"Aliphatic halogens (Genotox)|Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aliphatic halogens|Hydrazine",1,"Aliphatic halogen|H-acceptor-path3-H-acceptor|Hydrazine",1]
["N/A","metsulfuron-methyl","C(=O)(c1c(S(=O)(=O)NC(=O)Nc2nc(C)nc(OC)n2)cccc1)OC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"Acylation|Acylation >> P450 Mediated Activation to Isocyanates or Isothiocyanates|Acylation >> P450 Mediated Activation to Isocyanates or Isothiocyanates >> Sulfonylureas",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["N/A","thifensulfuron (-methyl)","C(=O)(C1=C(S(=O)(=O)NC(=O)Nc2nc(C)nc(OC)n2)C=CS1)OC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"Acylation|Acylation >> P450 Mediated Activation to Isocyanates or Isothiocyanates|Acylation >> P450 Mediated Activation to Isocyanates or Isothiocyanates >> Sulfonylureas",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["N/A","triasulfuron","c1(S(=O)(=O)NC(=O)Nc2nc(C)nc(OC)n2)c(OCCCl)cccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Heteroatom",1,"Acylation|Acylation >> P450 Mediated Activation to Isocyanates or Isothiocyanates|Acylation >> P450 Mediated Activation to Isocyanates or Isothiocyanates >> Sulfonylureas|SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides",1,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aliphatic halogens",1,"Aliphatic halogen|H-acceptor-path3-H-acceptor",1]
["N/A","prosulfuron","c1(S(=O)(=O)NC(=O)Nc2nc(C)nc(OC)n2)c(CCC(F)(F)F)cccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"Acylation|Acylation >> P450 Mediated Activation to Isocyanates or Isothiocyanates|Acylation >> P450 Mediated Activation to Isocyanates or Isothiocyanates >> Sulfonylureas",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["N/A","tribenuron methyl","C(=O)(c1c(S(=O)(=O)NC(=O)N(C)c2nc(C)nc(OC)n2)cccc1)OC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["N/A","nicosulfuron","C(=O)(c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)nccc1)N(C)C","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"Acylation|Acylation >> P450 Mediated Activation to Isocyanates or Isothiocyanates|Acylation >> P450 Mediated Activation to Isocyanates or Isothiocyanates >> Sulfonylureas|SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["N/A","rimsulfuron","c1(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)c(S(=O)(=O)CC)cccn1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"Acylation|Acylation >> P450 Mediated Activation to Isocyanates or Isothiocyanates|Acylation >> P450 Mediated Activation to Isocyanates or Isothiocyanates >> Sulfonylureas",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["N/A","triflusulfuron-methyl","C(=O)(c1c(S(=O)(=O)NC(=O)Nc2nc(N(C)C)nc(OCC(F)(F)F)n2)c(C)ccc1)OC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"Acylation|Acylation >> P450 Mediated Activation to Isocyanates or Isothiocyanates|Acylation >> P450 Mediated Activation to Isocyanates or Isothiocyanates >> Sulfonylureas|SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine",1,"Aromatic mono-and dialkylamine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aromatic mono-and dialkylamine",1,"Aromatic mono- and dialkylamine|H-acceptor-path3-H-acceptor",1]
["N/A","flufenacet","C(F)(F)(F)C1=NN=C(OCC(=O)N(c2ccc(F)cc2)C(C)C)S1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","No alert found",0,"No alert found",0,"Halogenated benzene (Nongenotox)|Hydrazine (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"No alert found",0,"Hydrazine",1,"H-acceptor-path3-H-acceptor|Hydrazine",1]
["N/A","imidacloprid","c1(Cl)ccc(CN2C(=NN(=O)=O)NCC2)cn1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","YES","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","No alert found",0,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["N/A","carboxin","C(=O)(C1=C(C)OCCS1)Nc1ccccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","No alert found",0,"No alert found",0,"alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"alpha,beta-unsaturated carbonyls",1,"alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor",1]
["N/A","desmedipham","c1(OC(=O)Nc2ccccc2)cc(NC(=O)OCC)ccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["N/A","paclobutrazol","C(C)(C)(C)C(O)C(Cc1ccc(Cl)cc1)N1C=NC=N1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","YES","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","No alert found",0,"No alert found",0,"Halogenated benzene (Nongenotox)|Hydrazine (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"No alert found",0,"Hydrazine",1,"H-acceptor-path3-H-acceptor|Hydrazine",1]
["N/A","methiocarb","c1(C)c(SC)c(C)cc(OC(=O)NC)c1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["N/A","etridiazole","C(Cl)(Cl)(Cl)C1N=C(OCC)SN=1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes",1,"No alert found",0,"Alkyl halides (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes",1,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["N/A","dinoterb","C(C)(C)(C)c1c(O)c(N(=O)=O)cc(N(=O)=O)c1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["N/A","ethofumesate","C1(C)(C)c2c(ccc(OS(C)(=O)=O)c2)OC1OCC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","No alert found",0,"SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Sulfonates",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["N/A","triadimenol","C(C)(C)(C)C(O)C(N1C=NC=N1)Oc1ccc(Cl)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","No alert found",0,"No alert found",0,"Halogenated benzene (Nongenotox)|Hydrazine (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"No alert found",0,"Hydrazine",1,"H-acceptor-path3-H-acceptor|Hydrazine",1]
["N/A","carbosulfan","c1(OC(=O)N(C)SN(CCCC)CCCC)c2c(ccc1)CC(C)(C)O2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["N/A","flurprimidol","c1(C(O)(c2ccc(OC(F)(F)F)cc2)C(C)C)cncnc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0]
["N/A","fenoxaprop-p","c12c(cc(Cl)cc1)OC(Oc1ccc(OC(C)C(=O)OCC)cc1)=N2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","No alert found",0,"No alert found",0,"Halogenated benzene (Nongenotox)|Phenoxy herbicides (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["N/A","fluazifop-p-butyl","C(F)(F)(F)c1ccc(Oc2ccc(OC(C)C(=O)OCCCC)cc2)nc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["N/A","cyproconazole","c1(C(O)(C(C)C2CC2)CN2C=NC=N2)ccc(Cl)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","No alert found",0,"No alert found",0,"Halogenated benzene (Nongenotox)|Hydrazine (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"No alert found",0,"Hydrazine",1,"H-acceptor-path3-H-acceptor|Hydrazine",1]
["N/A","maleic hydrazide","C1(=O)C=CC(=O)NN1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","No alert found",0,"No alert found",0,"alpha,beta-unsaturated carbonyls (Genotox)|Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"alpha,beta-unsaturated carbonyls|Hydrazine",1,"alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor|Hydrazine",1]
["N/A","myclobutanil","C(#N)C(c1ccc(Cl)cc1)(CCCC)CN1C=NC=N1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","No alert found",0,"No alert found",0,"Halogenated benzene (Nongenotox)|Hydrazine (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"No alert found",0,"Hydrazine",1,"H-acceptor-path3-H-acceptor|Hydrazine",1]
["N/A","tebuconazole","C(C)(C)(C)C(O)(CCc1ccc(Cl)cc1)CN1C=NC=N1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","No alert found",0,"No alert found",0,"Halogenated benzene (Nongenotox)|Hydrazine (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"No alert found",0,"Hydrazine",1,"H-acceptor-path3-H-acceptor|Hydrazine",1]
["N/A","fenbuconazole","C(#N)C(c1ccccc1)(CCc1ccc(Cl)cc1)CN1C=NC=N1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes",1,"Halogenated benzene (Nongenotox)|Hydrazine (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"No alert found",0,"Hydrazine",1,"H-acceptor-path3-H-acceptor|Hydrazine",1]
["N/A","amidosulfuron","c1(OC)cc(OC)nc(NC(=O)NS(=O)(=O)N(C)S(C)(=O)=O)n1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["N/A","oxasulfuron","C(=O)(c1c(S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)cccc1)OC1COC1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"Acylation|Acylation >> P450 Mediated Activation to Isocyanates or Isothiocyanates|Acylation >> P450 Mediated Activation to Isocyanates or Isothiocyanates >> Sulfonylureas",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["N/A","formetanate","c1(OC(=O)NC)cc(N=CN(C)C)ccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","YES","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","No alert found",0,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["N/A","prosulfocarb","c1(CSC(=O)N(CCC)CCC)ccccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","No alert found",{"$f":"IF(T80=\"No alert found\",0,1)","v":0},"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes|SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",{"$f":"IF(V80=\"No alert found\",0,1)","v":1},"Alkyl carbamate and thiocarbamate (Genotox)|Structural alert for genotoxic carcinogenicity",{"$f":"IF(X80=\"No alert found\",0,1)","v":1},"No alert found",{"$f":"IF(Z80=\"No alert found\",0,1)","v":0},"Alkyl carbamate and thiocarbamate",{"$f":"IF(AB80=\"No alert found\",0,1)","v":1},"Alkyl carbamate and thiocarbamate|H-acceptor-path3-H-acceptor",{"$f":"IF(AD80=\"No alert found\",0,1)","v":1}]
["N/A","benalaxyl-m","c1(C)c(N(C(=O)Cc2ccccc2)C(C)C(=O)OC)c(C)ccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["N/A","tefluthrin","C(F)(F)(F)C(Cl)=CC1C(C)(C)C1C(=O)OCc1c(F)c(F)c(C)c(F)c1F","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","No alert found",0,"No alert found",0,"Monohaloalkene (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Monohaloalkene",1,"H-acceptor-path3-H-acceptor|Monohaloalkene",1]
["N/A","bifenthrin","c1(-c2c(C)c(COC(=O)C3C(C)(C)C3C=C(Cl)C(F)(F)F)ccc2)ccccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","No alert found",0,"No alert found",0,"Monohaloalkene (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Monohaloalkene",1,"H-acceptor-path3-H-acceptor|Monohaloalkene",1]
["N/A","acetamiprid","c1(Cl)ccc(CN(C)C(C)=NC#N)cn1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","YES","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","No alert found",0,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0]
["N/A","tebufenpyrad","C(=O)(C1=C(Cl)C(CC)=NN1C)NCc1ccc(C(C)(C)C)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes",1,"alpha,beta-unsaturated carbonyls (Genotox)|Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives",1,"alpha,beta-unsaturated carbonyls|Hydrazine",1,"alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor|Hydrazine",1]
["N/A","cyanamide","C(#N)N","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0]
["N/A","difenoconazole","C1(c2c(Cl)cc(Oc3ccc(Cl)cc3)cc2)(CN2C=NC=N2)OC(C)CO1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","No alert found",0,"No alert found",0,"Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Hydrazine",1,"1-phenoxy-benzene|H-acceptor-path3-H-acceptor|Hydrazine",1]
["N/A","dimethomorph","c1(C(c2cc(OC)c(OC)cc2)=CC(=O)N2CCOCC2)ccc(Cl)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones|SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["N/A","fluazinam","C(F)(F)(F)c1c(Cl)c(N(=O)=O)c(Nc2c(Cl)cc(C(F)(F)F)cn2)c(N(=O)=O)c1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"No alert found",0,"No alert found",0,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["N/A","flumioxazine","C1(=O)C2=C(C(=O)N1c1c(F)cc3c(c1)N(CC#C)C(=O)CO3)CCCC2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","No alert found",0,"No alert found",0,"alpha,beta-unsaturated carbonyls (Genotox)|Dicarboximide (Nongenotox)|Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"No alert found",0,"alpha,beta-unsaturated carbonyls",1,"alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor",1]
["N/A","teflubenzuron","C(=O)(c1c(F)cccc1F)NC(=O)Nc1c(F)c(Cl)c(F)c(Cl)c1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic phenylureas",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["N/A","triflumuron","C(=O)(c1c(Cl)cccc1)NC(=O)Nc1ccc(OC(F)(F)F)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic phenylureas",1,"Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["N/A","benfluralin","C(F)(F)(F)c1cc(N(=O)=O)c(N(CCCC)CC)c(N(=O)=O)c1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["N/A","butralin","C(C)(C)(C)c1cc(N(=O)=O)c(NC(C)CC)c(N(=O)=O)c1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["N/A","ethalfluralin","C(F)(F)(F)c1cc(N(=O)=O)c(N(CC(=C)C)CC)c(N(=O)=O)c1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["N/A","dimethenamid;dimethenamid-p","C1(C)C(N(C(=O)CCl)C(C)COC)=C(C)SC=1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","No alert found",0,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aliphatic halogens",1,"Aliphatic halogen|H-acceptor-path3-H-acceptor",1]
["N/A","bensulfuron-methyl","C(=O)(c1c(CS(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cccc1)OC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"Acylation|Acylation >> P450 Mediated Activation to Isocyanates or Isothiocyanates|Acylation >> P450 Mediated Activation to Isocyanates or Isothiocyanates >> Sulfonylureas",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["N/A","bromuconazole","C1(c2c(Cl)cc(Cl)cc2)(CN2C=NC=N2)CC(Br)CO1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Heteroatom",1,"SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides",1,"Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Hydrazine",1,"H-acceptor-path3-H-acceptor|Hydrazine|Oxolane",1]
["N/A","fludioxonil","C(#N)C1C(c2c3c(ccc2)OC(F)(F)O3)=CNC=1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Methylenedioxyphenyl",1,"1,3-Benzodioxoles (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["N/A","quinoclamine","C1(Cl)C(=O)c2c(C(=O)C=1N)cccc2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives",1,"Michael addition|Michael addition >> Quinones and Quinone-type Chemicals|Michael addition >> Quinones and Quinone-type Chemicals >> Quinones",1,"Quinones (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives",1,"Quinones",1,"H-acceptor-path3-H-acceptor|Quinones",1]
["N/A","novaluron","C(=O)(c1c(F)cccc1F)NC(=O)Nc1cc(Cl)c(OC(F)(F)C(F)OC(F)(F)F)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Alpha halo ethers (including alpha halo thioethers)|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic phenylureas",1,"Aliphatic halogens (Genotox)|Halogenated benzene (Nongenotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"No alert found",0,"Aliphatic halogens",1,"Aliphatic halogen|H-acceptor-path3-H-acceptor",1]
["N/A","flazasulfuron","C(F)(F)(F)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)nccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"Acylation|Acylation >> P450 Mediated Activation to Isocyanates or Isothiocyanates|Acylation >> P450 Mediated Activation to Isocyanates or Isothiocyanates >> Sulfonylureas",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["N/A","imazosulfuron","C1(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)=C(Cl)Nc2ccccn12","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"Acylation|Acylation >> P450 Mediated Activation to Isocyanates or Isothiocyanates|Acylation >> P450 Mediated Activation to Isocyanates or Isothiocyanates >> Sulfonylureas",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["N/A","thiametoxam","C1(CN2C(=NN(=O)=O)N(C)COC2)=CN=C(Cl)S1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","YES","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","No alert found",0,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["N/A","aviglycine","C(=O)(O)C(N)C=COCCN","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","No alert found",0,"No alert found",0,"alpha,beta-unsaturated aliphatic alkoxy group (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"alpha,beta-unsaturated aliphatic alkoxy group",1,"alpha,beta-unsaturated aliphatic alkoxy group|H-acceptor-path3-H-acceptor",1]
["N/A","triflumizole","C(F)(F)(F)c1c(N=C(COCCC)N2C=CN=C2)ccc(Cl)c1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","No alert found",0,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["N/A","haloxyfop r","C(F)(F)(F)c1cc(Cl)c(Oc2ccc(OC(C)C(=O)O)cc2)nc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","No alert found",0,"No alert found",0,"Phenoxy herbicides (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["N/A","thiacloprid","c1(Cl)ccc(CN2C(=NC#N)SCC2)cn1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","YES","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","No alert found",0,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0]
["N/A","clothianidin","C1(CNC(=NN(=O)=O)NC)=CN=C(Cl)S1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","YES","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["N/A","azoxystrobin","C(=O)(C(c1c(Oc2cc(Oc3c(C#N)cccc3)ncn2)cccc1)=COC)OC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["N/A","penconazole","c1(Cl)c(C(CCC)CN2C=NC=N2)ccc(Cl)c1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","No alert found",0,"No alert found",0,"Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Hydrazine",1,"H-acceptor-path3-H-acceptor|Hydrazine",1]
["N/A","ethoxysulfuron","c1(OS(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)c(OCC)cccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["N/A","lufenuron","C(=O)(c1c(F)cccc1F)NC(=O)Nc1c(Cl)cc(OC(F)(F)C(F)C(F)(F)F)c(Cl)c1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic phenylureas",1,"Aliphatic halogens (Genotox)|Halogenated benzene (Nongenotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"No alert found",0,"Aliphatic halogens",1,"Aliphatic halogen|H-acceptor-path3-H-acceptor",1]
["N/A","tribenuron","C(=O)(O)c1c(S(=O)(=O)NC(=O)N(C)c2nc(C)nc(OC)n2)cccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["N/A","epoxiconazole","c1(C2(CN3C=NC=N3)C(c3c(Cl)cccc3)O2)ccc(F)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides",1,"Epoxides and aziridines (Genotox)|Halogenated benzene (Nongenotox)|Hydrazine (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Epoxides and aziridines|Hydrazine",1,"Epoxides and aziridines|H-acceptor-path3-H-acceptor|Hydrazine",1]
["N/A","metconazole","C1(C)(C)C(O)(CN2C=NC=N2)C(Cc2ccc(Cl)cc2)CC1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","No alert found",0,"No alert found",0,"Halogenated benzene (Nongenotox)|Hydrazine (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"No alert found",0,"Hydrazine",1,"H-acceptor-path3-H-acceptor|Hydrazine",1]
["N/A","flutriafol","c1(C(O)(c2c(F)cccc2)CN2C=NC=N2)ccc(F)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","No alert found",0,"No alert found",0,"Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Hydrazine",1,"H-acceptor-path3-H-acceptor|Hydrazine",1]
["N/A","tetraconazole","c1(Cl)c(C(CN2C=NC=N2)COC(F)(F)C(F)F)ccc(Cl)c1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","No alert found",0,"Acylation|Acylation >> P450 Mediated Activation to Acyl Halides|Acylation >> P450 Mediated Activation to Acyl Halides >> 1,1-Dihaloalkanes",1,"Aliphatic halogens (Genotox)|Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aliphatic halogens|Hydrazine",1,"Aliphatic halogen|H-acceptor-path3-H-acceptor|Hydrazine",1]
["N/A","ipconazole","C1(O)(CN2C=NC=N2)C(C(C)C)CCC1Cc1ccc(Cl)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","No alert found",0,"No alert found",0,"Halogenated benzene (Nongenotox)|Hydrazine (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"No alert found",0,"Hydrazine",1,"H-acceptor-path3-H-acceptor|Hydrazine",1]
["N/A","famoxadone","C1(=O)C(C)(c2ccc(Oc3ccccc3)cc2)OC(=O)N1Nc1ccccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","No alert found",0,"No alert found",0,"Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Hydrazine",1,"1-phenoxy-benzene|H-acceptor-path3-H-acceptor|Hydrazine",1]
["N/A","bitertanol","c1(-c2ccc(OC(C(O)C(C)(C)C)N3C=NC=N3)cc2)ccccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","No alert found",0,"No alert found",0,"Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Hydrazine",1,"H-acceptor-path3-H-acceptor|Hydrazine",1]
["N/A","pymetrozine","c1(C=NN2C(=O)NN=C(C)C2)cccnc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"No alert found",0,"Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Hydrazine",1,"H-acceptor-path3-H-acceptor|Hydrazine",1]
["N/A","triticonazole","C1(C)(C)C(O)(CN2C=NC=N2)C(=Cc2ccc(Cl)cc2)CC1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","YES","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","No alert found",0,"No alert found",0,"Halogenated benzene (Nongenotox)|Hydrazine (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"No alert found",0,"Hydrazine",1,"H-acceptor-path3-H-acceptor|Hydrazine",1]
["N/A","prothioconazole","C1(Cl)(C(O)(Cc2c(Cl)cccc2)CN2C(=S)NC=N2)CC1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"No alert found",0,"Halogenated benzene (Nongenotox)|Hydrazine (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity|Thiocarbonyl (Nongenotox)",1,"No alert found",0,"Hydrazine",1,"H-acceptor-path3-H-acceptor|Hydrazine",1]
["N/A","boscalid","c1(-c2c(NC(=O)c3c(Cl)nccc3)cccc2)ccc(Cl)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["N/A","spiromesifen","C1(=O)C(c2c(C)cc(C)cc2C)=C(OC(=O)CC(C)(C)C)C2(CCCC2)O1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["N/A","sulfosulfuron","C1(S(=O)(=O)CC)=C(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)N2C(C=CC=C2)=N1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"Acylation|Acylation >> P450 Mediated Activation to Isocyanates or Isothiocyanates|Acylation >> P450 Mediated Activation to Isocyanates or Isothiocyanates >> Sulfonylureas|SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["N/A","fenamidone","C1(=O)C(C)(c2ccccc2)N=C(SC)N1Nc1ccccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","YES","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes",1,"Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Hydrazine",1,"H-acceptor-path3-H-acceptor|Hydrazine",1]
["N/A","orthosulfamuron","C(=O)(c1c(NS(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cccc1)N(C)C","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["N/A","abamectin","C12C3(O)C(C(=O)OC4CC5(C=CC(C)C(C(C)CC)O5)OC(CC=C(C)C(OC5CC(OC)C(OC6CC(OC)C(O)C(C)O6)C(C)O5)C(C)C=CC=1)C4)C=C(C)C(O)C3OC2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor|Oxolane",1]
["N/A","diniconazole-m","c1(Cl)c(C=C(C(O)C(C)(C)C)N2C=NC=N2)ccc(Cl)c1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","YES","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","No alert found",0,"No alert found",0,"Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Hydrazine",1,"H-acceptor-path3-H-acceptor|Hydrazine",1]
["N/A","fluquinconazole","C1(=O)c2c(ccc(F)c2)N=C(N2C=NC=N2)N1c1c(Cl)cc(Cl)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","No alert found",0,"No alert found",0,"Halogenated benzene (Nongenotox)|Hydrazine (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"No alert found",0,"Hydrazine",1,"H-acceptor-path3-H-acceptor|Hydrazine",1]
["N/A","fenamidonerpa717879","C1(=O)C(C)(c2ccccc2)NC(=O)N1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["N/A","flupyrsulfuron-methyl","C(=O)(c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)nc(C(F)(F)F)cc1)OC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"Acylation|Acylation >> P450 Mediated Activation to Isocyanates or Isothiocyanates|Acylation >> P450 Mediated Activation to Isocyanates or Isothiocyanates >> Sulfonylureas",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["N/A","fenhexamid","C(=O)(C1(C)CCCCC1)Nc1c(Cl)c(Cl)c(O)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["N/A","forchlorfenuron","c1(Cl)cc(NC(=O)Nc2ccccc2)ccn1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic phenylureas",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["N/A","thifensulfuron","C(=O)(O)C1=C(S(=O)(=O)NC(=O)Nc2nc(C)nc(OC)n2)C=CS1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"Acylation|Acylation >> P450 Mediated Activation to Isocyanates or Isothiocyanates|Acylation >> P450 Mediated Activation to Isocyanates or Isothiocyanates >> Sulfonylureas",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["N/A","amisulbrom","C1(Br)c2c(cc(F)cc2)N(S(=O)(=O)C2N=CN(S(=O)(=O)N(C)C)N=2)C=1C","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","No alert found",0,"No alert found",0,"Halogenated benzene (Nongenotox)|Hydrazine (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"No alert found",0,"Hydrazine",1,"H-acceptor-path3-H-acceptor|Hydrazine",1]
["N/A","azinphos-methyl","C1(=O)c2c(cccc2)N=NN1CSP(=S)(OC)OC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"No alert found",0,"No alert found",0,"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["N/A","benthiavalicarb","c12c(cc(F)cc1)SC(C(C)NC(=O)C(C(C)C)NC(=O)O)=N2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","No alert found",0,"No alert found",0,"Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["N/A","cinidon ethyl","C1(=O)C2=C(C(=O)N1c1cc(C=C(Cl)C(=O)OCC)c(Cl)cc1)CCCC2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","Acylation|Acylation >> Acyl transfer via nucleophilic addition reaction|Acylation >> Acyl transfer via nucleophilic addition reaction >> Haloalkenes with Electron-Withdrawing Groups|SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Haloalkenes with Electron-Withdrawing Groups|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Haloalkenes with Electron-Withdrawing Groups|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives",1,"No alert found",0,"alpha,beta-unsaturated carbonyls (Genotox)|Dicarboximide (Nongenotox)|Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"Acylation|Acylation >> Acyl transfer via nucleophilic addition reaction|Acylation >> Acyl transfer via nucleophilic addition reaction >> Haloalkenes with Electron-Withdrawing Groups|SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Haloalkenes with Electron-Withdrawing Groups|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Haloalkenes with Electron-Withdrawing Groups|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives",1,"alpha,beta-unsaturated carbonyls",1,"alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor",1]
["N/A","fluopicolide.","C(=O)(c1c(Cl)cccc1Cl)NCc1c(Cl)cc(C(F)(F)F)cn1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["N/A","flurtamone","c1(C2C(=O)C(c3ccccc3)OC=2NC)cc(C(F)(F)F)ccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes|SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Secondary (unsaturated) heterocyclic amine",1,"alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"alpha,beta-unsaturated carbonyls",1,"alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor",1]
["N/A","fosthiazate","C1(=O)N(P(=O)(OCC)SC(C)CC)CCS1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",{"$f":"IF(T144=\"No alert found\",0,1)","v":1},"No alert found",{"$f":"IF(V144=\"No alert found\",0,1)","v":0},"No alert found",{"$f":"IF(X144=\"No alert found\",0,1)","v":0},"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",{"$f":"IF(Z144=\"No alert found\",0,1)","v":1},"No alert found",{"$f":"IF(AB144=\"No alert found\",0,1)","v":0},"H-acceptor-path3-H-acceptor",{"$f":"IF(AD144=\"No alert found\",0,1)","v":1}]
["N/A","metaflumizone","C(F)(F)(F)c1cc(C(Cc2ccc(C#N)cc2)=NNC(=O)Nc2ccc(OC(F)(F)F)cc2)ccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"No alert found",0,"Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Hydrazine",1,"H-acceptor-path3-H-acceptor|Hydrazine",1]
["N/A","metosulam","c1(Cl)c(NS(=O)(=O)C2N=C3N(C(OC)=CC(OC)=N3)N=2)c(Cl)c(C)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","No alert found",0,"No alert found",0,"Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Hydrazine",1,"H-acceptor-path3-H-acceptor|Hydrazine",1]
["N/A","metrafenone","c1(C(=O)c2c(OC)c(OC)c(OC)cc2C)c(C)c(Br)ccc1OC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones",1,"Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"1,3-dialkoxy-benzene|H-acceptor-path3-H-acceptor",1]
["N/A","picoxystrobin","C(=O)(C(c1c(COc2cccc(C(F)(F)F)n2)cccc1)=COC)OC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["N/A","pyraclostrobin","c1(N(C(=O)OC)OC)c(COC2=CC=N(c3ccc(Cl)cc3)N2)cccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","No alert found",0,"No alert found",0,"Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["N/A","sintofen","C(=O)(O)C1C(=O)c2c(OCCOC)cccc2N(c2ccc(Cl)cc2)N=1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","No alert found",0,"No alert found",0,"Halogenated benzene (Nongenotox)|Hydrazine (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"No alert found",0,"Hydrazine",1,"H-acceptor-path3-H-acceptor|Hydrazine",1]
["N/A","sodium nitroguiacolate","c1(OC)c(O)cc(N(=O)=O)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones|SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["N/A","spinosad","C1(=O)C2C(C3C(C4C(CC(OC5C(OC)C(OC)C(OC)C(C)C5)C4)CC3)C2)CC(=O)OC(CC)CCCC(OC2CCC(N(C)C)C(C)O2)C1C","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","No alert found",0,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["N/A","valiphenal","C(=O)(C(C(C)C)NC(=O)OC(C)C)NC(c1ccc(Cl)cc1)CC(=O)OC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","No alert found",0,"No alert found",0,"Alkyl carbamate and thiocarbamate (Genotox)|Halogenated benzene (Nongenotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"No alert found",0,"Alkyl carbamate and thiocarbamate",1,"Alkyl carbamate and thiocarbamate|H-acceptor-path3-H-acceptor",1]
["N/A","dimethoate","C(=O)(CSP(=S)(OC)OC)NC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"No alert found",0,"No alert found",0,"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["N/A","proquinazid","C1(=O)c2c(ccc(I)c2)N=C(OCCC)N1CCC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","No alert found",0,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["N/A","spirotetramat","C1(=O)C(c2c(C)ccc(C)c2)=C(OC(=O)OCC)C2(CCC(OC)CC2)N1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","YES","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["N/A","halosulfuron methyl","C(=O)(C1C(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)=N(C)NC=1Cl)OC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives|SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives",1,"Acylation|Acylation >> P450 Mediated Activation to Isocyanates or Isothiocyanates|Acylation >> P450 Mediated Activation to Isocyanates or Isothiocyanates >> Sulfonylureas",1,"No alert found",0,"SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives",1,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["N/A","1-mcp","C1(C)=CC1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0]
["N/A","laminarin","C1(OCC(O)C(O)C(O)C(O)CO)C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(CO)O1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["N/A","silthiofam","C(=O)(C1C(C)=C(C)SC=1[Si](C)(C)C)NCC=C","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","No alert found",0,"No alert found",0,"alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"alpha,beta-unsaturated carbonyls",1,"alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor",1]
["N/A","bitertanoltriazolylalanine;metconazoletriazolylalanine","C(=O)(O)C(N)CN1C=NC=N1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","No alert found",0,"No alert found",0,"Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Hydrazine",1,"H-acceptor-path3-H-acceptor|Hydrazine",1]
["N/A","fenamidonerpa405862","C1(=O)C(C)(c2ccccc2)NC(=O)N1Nc1ccccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes",1,"Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Hydrazine",1,"H-acceptor-path3-H-acceptor|Hydrazine",1]
["N/A","fenamidonerpa408056","C1(=O)C(C)(c2ccccc2)N=C(SC)N1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["N/A","fludioxonilcga192155","C(=O)(O)c1c2c(ccc1)OC(F)(F)O2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Methylenedioxyphenyl",1,"1,3-Benzodioxoles (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["N/A","fludioxonilcga308103","c12c(c(C(O)C(N)=O)ccc1)OC(F)(F)O2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Methylenedioxyphenyl",1,"1,3-Benzodioxoles (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["N/A","fludioxonilcga339833","C(=O)(O)C(C)(C(O)(c1c2c(ccc1)OC(F)(F)O2)C(N)=O)C#N","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Methylenedioxyphenyl",1,"1,3-Benzodioxoles (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["N/A","pirimicarbr31805","c1(O)c(C)c(C)nc(N(C)C)n1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","No alert found",0,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine",1,"Aromatic mono-and dialkylamine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aromatic mono-and dialkylamine",1,"Aromatic mono- and dialkylamine",1]
["N/A","pirimicarbr34865","c1(O)c(C)c(C)nc(NC)n1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","No alert found",0,"No alert found",0,"Aromatic mono-and dialkylamine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aromatic mono-and dialkylamine",1,"Aromatic mono- and dialkylamine",1]
["N/A","proquinazidin-mm671","C1(=O)c2c(cccc2)N=C(OCCC)N1CCC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","No alert found",0,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["N/A","spirotetramatbyi 08330-desmethyl-ketohydroxy","C12(C(=O)C(O)(c3c(C)ccc(C)c3)C(=O)N1)CCC(O)CC2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["N/A","spirotetramatbyi 08330-dihydroxy","C1(=O)C(O)(c2c(C)ccc(C)c2)C(O)C2(CCC(OC)CC2)N1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["N/A","spirotetramatbyi 08330-enol","C1(=O)C(c2c(C)ccc(C)c2)=C(O)C2(CCC(OC)CC2)N1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["N/A","spirotetramatbyi 08330-ketohydroxy","C12(C(=O)C(O)(c3c(C)ccc(C)c3)C(=O)N1)CCC(OC)CC2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["N/A","spirotetramatbyi 08330-monohydroxy","c1(C)c(C2C(=O)NC3(C2O)CCC(OC)CC3)cc(C)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["N/A","azimsulfuron","C1(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)C(C2N=NN(C)N=2)=CNN=1C","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"Acylation|Acylation >> P450 Mediated Activation to Isocyanates or Isothiocyanates|Acylation >> P450 Mediated Activation to Isocyanates or Isothiocyanates >> Sulfonylureas",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["N/A","flupyrsulfuron","C(=O)(O)c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)nc(C(F)(F)F)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"Acylation|Acylation >> P450 Mediated Activation to Isocyanates or Isothiocyanates|Acylation >> P450 Mediated Activation to Isocyanates or Isothiocyanates >> Sulfonylureas",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["N/A","flusilazole","c1([Si](C)(c2ccc(F)cc2)CN2C=NC=N2)ccc(F)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","No alert found",0,"No alert found",0,"Halogenated PAH (naphthalenes, biphenyls, diphenyls) (Nongenotox)|Hydrazine (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"No alert found",0,"Hydrazine",1,"H-acceptor-path3-H-acceptor|Hydrazine",1]
["N/A","foramsulfuron","C(=O)(c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(NC=O)cc1)N(C)C","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"Acylation|Acylation >> P450 Mediated Activation to Isocyanates or Isothiocyanates|Acylation >> P450 Mediated Activation to Isocyanates or Isothiocyanates >> Formamides|Acylation >> P450 Mediated Activation to Isocyanates or Isothiocyanates >> Sulfonylureas|SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"Aromatic N-acyl amine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aromatic N-acyl amine",1,"Aromatic N-acyl amine|H-acceptor-path3-H-acceptor",1]
["N/A","iodosulfuron-methyl sodium","C(=O)(O)c1c(S(=O)(=O)NC(=O)Nc2nc(C)nc(OC)n2)cc(I)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"Acylation|Acylation >> P450 Mediated Activation to Isocyanates or Isothiocyanates|Acylation >> P450 Mediated Activation to Isocyanates or Isothiocyanates >> Sulfonylureas",1,"Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["N/A","mesosulfuron-methyl","C(=O)(c1c(S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2)cc(CNS(C)(=O)=O)cc1)OC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"Acylation|Acylation >> P450 Mediated Activation to Isocyanates or Isothiocyanates|Acylation >> P450 Mediated Activation to Isocyanates or Isothiocyanates >> Sulfonylureas",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["N/A","pethoxamide","c1(C(=C(C)C)N(C(=O)CCl)CCOCC)ccccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","YES","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","No alert found",0,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aliphatic halogens",1,"Aliphatic halogen|H-acceptor-path3-H-acceptor",1]
["N/A","tritosulfuron","C(F)(F)(F)c1c(S(=O)(=O)NC(=O)Nc2nc(C(F)(F)F)nc(OC)n2)cccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"Acylation|Acylation >> P450 Mediated Activation to Isocyanates or Isothiocyanates|Acylation >> P450 Mediated Activation to Isocyanates or Isothiocyanates >> Sulfonylureas",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
[]
[{"$nulls":16},"Non-mutagens","with","alerts",null,{"$f":"SUM(U16:U183)","v":64},null,{"$f":"SUM(W16:W183)","v":79},null,{"$f":"SUM(Y16:Y183)","v":93},null,{"$f":"SUM(AA16:AA183)","v":15},null,{"$f":"SUM(AC16:AC183)","v":74},null,{"$f":"SUM(AE16:AE183)","v":160}]
[]
["N/A","chlorotoluron","c1(C)c(Cl)cc(NC(=O)N(C)C)cc1","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",{"$f":"IF(T186=\"No alert found\",0,1)","v":1},"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic phenylureas",{"$f":"IF(V186=\"No alert found\",0,1)","v":1},"Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",{"$f":"IF(X186=\"No alert found\",0,1)","v":1},"SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",{"$f":"IF(Z186=\"No alert found\",0,1)","v":1},"No alert found",{"$f":"IF(AB186=\"No alert found\",0,1)","v":0},"H-acceptor-path3-H-acceptor",{"$f":"IF(AD186=\"No alert found\",0,1)","v":1}]
["N/A","dicloran","c1(Cl)c(N)c(Cl)cc(N{+}(=O)O)c1","Equivocal",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","CRDAGES_Mutagenicity_v2ready","N/A","NO","No","without S9","TA 100","Salmonella typhimurium","bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","in vitro","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",{"$f":"IF(T187=\"No alert found\",0,1)","v":1},"No alert found",{"$f":"IF(V187=\"No alert found\",0,1)","v":0},"No alert found",{"$f":"IF(X187=\"No alert found\",0,1)","v":0},"No alert found",{"$f":"IF(Z187=\"No alert found\",0,1)","v":0},"No alert found",{"$f":"IF(AB187=\"No alert found\",0,1)","v":0},"No alert found",{"$f":"IF(AD187=\"No alert found\",0,1)","v":0}]

{"sheet":"OASIS_Ames","index":2,"n_rows":23690,"n_cols":31,"rows_kept":2250,"cut":true,"bounds":{"rows_first":1000,"rows_last":250,"rows_between":1000,"halvings":1}}
["CAS","NAME","SMILES","Data","Unit","Duration","Endpoint","Endpoint description","Endpoint position","Database name","QA (CAS-2D)","Assigned SMILES","Author","Data from tautomer structure","Metabolic activation","Reference source","Strain","Test organisms (species)","Test type","Type of genotoxicity","Type of method","Year","Comment","Title","Source of methabolic system","DNA binding by OASIS v.1.1","DNA binding by OECD","Carcinogenicity (genotox and nongenotox) alerts by ISS","DNA alerts for AMES, MN and CA by OASIS v.1.1","in vitro mutagenicity (Ames test) alerts by ISS","in vivo mutagenicity (Micronucleus) alerts by ISS"]
["50-14-6","calciferol;vitamin d2;9,10-secoergosta-5,7,10(19),22-tetraen-3-ol, (3 ,5z,7e,22e)-;ergocalciferol;9,10-secoergosta-5,7,10(19),22-tetraen-3-ol, (3.beta.,5z,7e,22e)-;cyclohexanol, 4-methylene-3-(2-(te;9,10-secoergosta-5,7,10(19),22-tetraen-3-ol, (3?,5z,7e,22e)-;(3s,5z,7e,22e)-9,10-secoergosta-5,7,10,22-tetraen-3-ol;ergocalciferol(inn) andcholecalciferol (vitaminsd2andd3);cycloheanol, 4-methylene-3-(2-(tetrahydro-7a-methyl-1-(1,4,5-trimethyl-2-hexenyl)-4(3ah)-indanylidene)ethylidene)-;50-14-6;9,10-secoergosta-5,7,10(19),22-tetraen-3-ol;(3<i>s</i>,5<i>z</i>,7<i>e</i>,22<i>e</i>)-form","C1(=C)C(=CC=C2C3C(C)(C(C(C)C=CC(C)C(C)C)CC3)CCC2)CC(O)CC1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["50-21-5","lactic acid;2-hydroxypropanoic acid;propanoic acid, 2-hydroxy-;propanoic acid, 2-hydroxy-, (.+-.)-;lactic acid [jan];2-hydropropanoic acid;50-21-5","C(=O)(O)C(C)O","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["50-32-8","benzo(a)pyrene;benzo[a]pyrene;benzopyrene;3,4-\"\";3,4-\";benzo[def]chrysene;benzo(a)pyrene (bap);benzo[pqr]tetraphene;benzo[def]chrysene(benzo[a]pyrene)","c12c3c4c(c5c(cc4ccc3ccc1)cccc5)cc2","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition|SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1","Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons"]
["52-86-8","haloperidol;4-[4-(4-chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1-(4-fluoro-phenyl)-butan-1-one;1-butanone, 4-[4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl]-1-(4-fluorophenyl)-;4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one;haloperidol(inn);4-[4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl]-1-(4-fluorophenyl)-1-butanone;1-butanone, 4-(4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl)-1-(4-fluorophenyl)-","C(=O)(c1ccc(F)cc1)CCCN1CCC(O)(c2ccc(Cl)cc2)CC1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","No alert found"]
["53-96-3","2-acetylaminofluorene;n-2-fluorenylacetamide;2-acetylaminofluorene [2-acetaminofluorene] [2,fluorenyl acetamide (2-faa)];n-fluoren-2-ylacetamide;2-acetylaminofluorene (2-aaf);acetamide, n-9h-fluoren-2-yl-;n-(9h-fluoren-2-yl)acetamide;n-9h-fluoren-2-ylacetamide","c12-c3c(cc(NC(C)=O)cc3)Cc1cccc2","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","No alert found","Aromatic N-acyl amine (Genotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Aromatic N-acyl amine|Polycyclic Aromatic Hydrocarbons","Aromatic N-acyl amine|H-acceptor-path3-H-acceptor|Polycyclic Aromatic Hydrocarbons"]
["53-96-3","2-acetylaminofluorene;n-2-fluorenylacetamide;2-acetylaminofluorene [2-acetaminofluorene] [2,fluorenyl acetamide (2-faa)];n-fluoren-2-ylacetamide;2-acetylaminofluorene (2-aaf);acetamide, n-9h-fluoren-2-yl-;n-(9h-fluoren-2-yl)acetamide;n-9h-fluoren-2-ylacetamide","c12-c3c(cc(NC(C)=O)cc3)Cc1cccc2","Positive",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","No alert found","No alert found","Aromatic N-acyl amine (Genotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Aromatic N-acyl amine|Polycyclic Aromatic Hydrocarbons","Aromatic N-acyl amine|H-acceptor-path3-H-acceptor|Polycyclic Aromatic Hydrocarbons"]
["56-40-6","glycine;amino-acetic acid;glycine, amino-acetic acid;glycine [inn];glycine iron sulphate (1:1);56-40-6","C(=O)(O)CN","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["56-53-1","diethylstilbestrol;des;diethylstilbestrol (des);diethylstilbesterol;phenol, 4,4'-[(1e)-1,2-diethyl-1,2-ethenediyl]bis-;4,4'-(3e)-hex-3-ene-3,4-diyldiphenol;phenol, 4,4'-(1,2-diethyl-1,2-ethenediyl)bis-, (e)-;4,4'-[(1e)-1,2-diethyl-1,2-ethenediyl]bisphenol;4,4'-stilbenediol, alpha,alpha'-diethyl-, (e)- (8ci);diethylstilbestrol [usan:inn]","c1(C(=C(c2ccc(O)cc2)CC)CC)ccc(O)cc1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["56-53-1","diethylstilbestrol;des;diethylstilbestrol (des);diethylstilbesterol;phenol, 4,4'-[(1e)-1,2-diethyl-1,2-ethenediyl]bis-;4,4'-(3e)-hex-3-ene-3,4-diyldiphenol;phenol, 4,4'-(1,2-diethyl-1,2-ethenediyl)bis-, (e)-;4,4'-[(1e)-1,2-diethyl-1,2-ethenediyl]bisphenol;4,4'-stilbenediol, alpha,alpha'-diethyl-, (e)- (8ci);diethylstilbestrol [usan:inn]","c1(C(=C(c2ccc(O)cc2)CC)CC)ccc(O)cc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["56-55-3","benz(a)anthracene;benz[a]anthracene;benzo(a)anthracene;benzo[a]anthracene;tetraphene","c12c(c3c(cc4c(cccc4)c3)cc1)cccc2","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition|SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1","Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons"]
["56-81-5","glycerin;glycerol;propane-1,2,3-triol;1,2,3-propanetriol;glycerin, natural;glycerin, synthetic;propanetriolvan;glycerine;glycerin [jan]","C(O)(CO)CO","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["56-84-8","l-aspartic acid;(s)-2-amino-succinic acid;aspartic acid;dl-aspartic acid;aspartic acid, l-","C(=O)(O)C(N)CC(=O)O","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["56-86-0","l-glutamic acid;(s)-2-amino-pentanedioic acid;glutamic acid;glutamic acid, l-;dl-glutamic acid;glutamic acidvan","C(=O)(O)C(N)CCC(=O)O","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["57-50-1","(2r,3r,4s,5s,6r)-2-((2s,3s,4s,5r)-3,4-dihydroxy-2,5-bis-hydroxymethyl-tetrahydro-furan-2-yloxy)-6-hydroxymethyl-tetrahydro-pyran-3,4,5-triol;sucrose;sugar;?-d-glucopyranoside, ?-d-fructofuranosyl;.alpha.-d-glucopyranoside, .beta.-d-fructofuranosyl;saccharose;beta-d-fructofuranosyl alpha-d-glucopyranoside;sucrose [usan:jan];alpha-d-glucopyranoside, beta-d-fructofuranosyl;57-50-1","C1(CO)(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(O)C(CO)O1","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor|Oxolane"]
["58-08-2","caffeine;1,3,7-trimethyl-3,7-dihydro-purine-2,6-dione;1h-purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-;1,3,7-trimethyl-3,7-dihydro-1h-purine-2,6-dione;3,7-dihydro-1,3,7-trimethyl-1h-pyrine-2,6-dione","C1(=O)C2=C(N(C)C(=O)N1C)N=CN2C","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives","SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["58-56-0","pyridoxine hydrochloride;3,4-pyridinedimethanol, 5-hydroxy-6-methyl-, hydrochloride","c1(C)c(O)c(CO)c(CO)cn1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality, Conflict","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["59-00-7","xanthurenic acid;2-quinolinecarboxylic acid, 4,8-dihydroxy-;4,8-dihydroxyquinoline-2-carboxylic acid;2-quinolinecarboxylic acid, 4,8-dihydroxy- (9ci)","C(=O)(O)c1cc(O)c2c(c(O)ccc2)n1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["59-02-9","vitamin e;tocopherol, alpha-;±-tocopherol;2h-1-benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-, [2r-[2r(4r,8r)]]-;?-tocopherol;2h-1-benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-[(4r,8r)-4,8,12-trimethyltridecyl]-, (2r)-;(2r)-2,5,7,8-tetramethyl-2-[(4r,8r)-4,8,12-trimethyltridecyl]-3,4-dihydro-2h-chromen-6-ol;2h-1-benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-, [2r-[2r*(4r*,8r*)]]-;[2r- [2r*(4r*,8r*)]]-3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2h-1-benzopyran-6-ol;2h-1-benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-((4r,8r)-4,8,12-trimethyltridecyl)-, (2r)-","c1(C)c(O)c(C)c(C)c2c1CCC(C)(CCCC(C)CCCC(C)CCCC(C)C)O2","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Alkyl phenols","No alert found","No alert found","No alert found","No alert found"]
["59-67-6","3-carboxylpyridine (nicotinic acid) (niacin);nicotinic acid;niacin;3-carboxypyridine;3-pyridinecarboxylic acid;pyridine-3-carboxylic acid","C(=O)(O)c1cccnc1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["59-89-2","morpholine;n-nitrosomorpholine;nitrosomorpholine;4-nitrosomorpholine;morpholine, n-nitroso-;59-89-2;<i>n</i>-nitroso","C1CN(N=O)CCO1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2","Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","Alkyl and aryl N-nitroso groups","Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor"]
["60-27-5","2-imino-1-methyl-imidazolidin-4-one;creatinine;4h-imidazol-4-one, 2-amino-1,5-dihydro-1-methyl-;creatinine\"\"\";imidazolidine, 2-imino-1-methyl-4-oxo-:;2-imino-1-methylimidazolidin-4-one","C1(=O)CN(C)C(=N)N1","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["62-44-2","n-(4-ethoxyphenyl)acetamide;n-acetyl-4-ethoxyaniline;4-ethoxyaniline;phenacetin;p-phenacetin;acetamide, n-(4-ethoxyphenyl)-;4-ethoxyacetanilide;acetophenetidin;p-acetophenetidide;n-[4-(ethyloxy)phenyl]acetamide;acetamide, n-(4-ethoxyphenol)-;62-44-2;<i>n</i>-ac","c1(OCC)ccc(NC(C)=O)cc1","Positive",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","No alert found","No alert found","Aromatic N-acyl amine (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Aromatic N-acyl amine","Aromatic N-acyl amine|H-acceptor-path3-H-acceptor"]
["62-44-2","n-(4-ethoxyphenyl)acetamide;n-acetyl-4-ethoxyaniline;4-ethoxyaniline;phenacetin;p-phenacetin;acetamide, n-(4-ethoxyphenyl)-;4-ethoxyacetanilide;acetophenetidin;p-acetophenetidide;n-[4-(ethyloxy)phenyl]acetamide;acetamide, n-(4-ethoxyphenol)-;62-44-2;<i>n</i>-ac","c1(OCC)ccc(NC(C)=O)cc1","Negative",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system hamster","No alert found","No alert found","Aromatic N-acyl amine (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Aromatic N-acyl amine","Aromatic N-acyl amine|H-acceptor-path3-H-acceptor"]
["62-53-3","aniline;phenylamine;benzenamine;aniline,itssaltsanditshalogenatedandsulphonatedderivatives;62-53-3","c1(N)ccccc1","Positive",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","Primary aromatic amine,hydroxyl amine and its derived esters","Primary aromatic amine, hydroxyl amine and its derived esters"]
["65-45-2","salicylamide (2-hydroxybenzamide);2-hydroxybenzamide;2-hydroxy-benzamide;o-hydroxybenzamide;salicylamide;salicylanide;benzamide, 2-hydroxy-;65-45-2","C(N)(=O)c1c(O)cccc1","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["67-03-8","thiamine hydrochloride;thiamine hcl","c1(N)c(CN{+}2(.Cl{-})C(C)=C(CCO)SC=2)cnc(C)n1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality, Conflict","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","No alert found","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Primary aromatic amine,hydroxyl amine and its derived esters","Primary aromatic amine, hydroxyl amine and its derived esters"]
["67-64-1","acetone;propan-2-one;2-propanone;methyl ketoneacetone","C(C)(C)=O","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["67-64-1","acetone;propan-2-one;2-propanone;methyl ketoneacetone","C(C)(C)=O","Negative",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["67-66-3","methane, trichloro-;chloroform;trichloromethane;chloroform\"\"\";trichlorometane;chloroform\";67-66-3","C(Cl)(Cl)Cl","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes","No alert found","Aliphatic halogens (Genotox)|Alkyl halides (Nongenotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes","Aliphatic halogens","Aliphatic halogen"]
["67-97-0","vitamin d3;colecalciferol;9,10-secocholesta-5,7,10(19)-trien-3-ol, (3?,5z,7e)-;9,10-secocholesta-5,7,10(19)-trien-3-ol, (3.beta.,5z,7e)-;9,10-secocholesta-5,7,10(19)-trien-3-ol, (3 ,5z,7e)-;cholecalciferol;(3s,5e,7e)-9,10-secocholesta-5,7,10-trien-3-ol;ergocalciferol(inn) andcholecalciferol (vitaminsd2andd3);(3.beta.,5z,7e)-9,10-secocholesta-5,7,10(19)-trien-3-ol;9,10-secocholesta-5,7,10(19)-trien-3-ol, (3beta,5z,7e)-;67-97-0;9,10-secocholesta-5,7,10(19)-trien-3-ol;(3<i>s</i>,5<i>z</i>,7<i>e</i>)-form","C1(=C)C(=CC=C2C3C(C)(C(C(C)CCCC(C)C)CC3)CCC2)CC(O)CC1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["71-00-1","(s)-2-amino-3-(1h-imidazol-4-yl)-propionic acid;(s)-2-amino-3-(3h-imidazol-4-yl)-propionic acid;histidine;l-histidine monohydrochloride;l-histidine","C(=O)(O)C(N)CC1=CNC=N1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","Imidazole, benzimidazole (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["72-18-4","valine;(s)-2-amino-3-methyl-butyric acid;l-valine;valine [usan:inn]","C(=O)(O)C(N)C(C)C","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["72-19-5","threonine;(2s,3r)-2-amino-3-hydroxy-butyric acid;threonine(l);dl-threonine;l-threonine;threonine, l-;threonine [usan:inn]","C(=O)(O)C(N)C(C)O","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["73-32-5","(2s,3s)-2-amino-3-methyl-pentanoic acid;iso-leucine;l-isoleucine;isoleucine [usan:inn]","C(=O)(O)C(N)C(C)CC","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["75-09-2","methane, dichloro-;dichloromethane;methylene chloride;methylene chloride [usan];75-09-2","C(Cl)Cl","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes","No alert found","Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes","Aliphatic halogens","Aliphatic halogen"]
["75-09-2","methane, dichloro-;dichloromethane;methylene chloride;methylene chloride [usan];75-09-2","C(Cl)Cl","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes","No alert found","Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes","Aliphatic halogens","Aliphatic halogen"]
["75-09-2","methane, dichloro-;dichloromethane;methylene chloride;methylene chloride [usan];75-09-2","C(Cl)Cl","Negative",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes","No alert found","Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes","Aliphatic halogens","Aliphatic halogen"]
["75-65-0","2-propanol, 2-methyl-;2-methyl-2-propanol (tert.butyl alcohol);methyl-2-propanol, 2-;tert-butyl alcohol;2-methyl-propan-2-ol;t-butanol;t-butyl alcohol;2-methyl-2-propanol;2-methylpropan-2-ol","C(C)(C)(C)O","Negative",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["79-06-1","acrylamide monomer;acrylamide;2-propenoic acid;2-propenamide;acrylamide\"\"\";acrylamide,unlessregulatedelsewhereinthisregulation;prop-2-enamide;acrylamide\";amide","C(N)(=O)C=C","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated amides","alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","alpha,beta-unsaturated carbonyls","alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor"]
["79-06-1","acrylamide monomer;acrylamide;2-propenoic acid;2-propenamide;acrylamide\"\"\";acrylamide,unlessregulatedelsewhereinthisregulation;prop-2-enamide;acrylamide\";amide","C(N)(=O)C=C","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated amides","alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","alpha,beta-unsaturated carbonyls","alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor"]
["79-06-1","acrylamide monomer;acrylamide;2-propenoic acid;2-propenamide;acrylamide\"\"\";acrylamide,unlessregulatedelsewhereinthisregulation;prop-2-enamide;acrylamide\";amide","C(N)(=O)C=C","Positive",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","No alert found","Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated amides","alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","alpha,beta-unsaturated carbonyls","alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor"]
["86-30-6","benzenamine, n-nitroso-n-phenyl-;n-nitrosodiphenylamine;diphenylnitrosamine;n-nitrosodiphenylamine [diphenyl nitrosamine];nitrosodiphenylamine, n-;nitrosodiphenylamine;diphenylamine, n-nitroso-;n-nitroso-n-phenylaniline;n-nitroso-n-phenylbenzenamine;86-30-6","c1(N(c2ccccc2)N=O)ccccc1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","SN1|SN1 >> Nitrosation-SN1|SN1 >> Nitrosation-SN1 >> N-Nitroso-SN1","Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","Alkyl and aryl N-nitroso groups","Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor"]
["86-30-6","benzenamine, n-nitroso-n-phenyl-;n-nitrosodiphenylamine;diphenylnitrosamine;n-nitrosodiphenylamine [diphenyl nitrosamine];nitrosodiphenylamine, n-;nitrosodiphenylamine;diphenylamine, n-nitroso-;n-nitroso-n-phenylaniline;n-nitroso-n-phenylbenzenamine;86-30-6","c1(N(c2ccccc2)N=O)ccccc1","Negative",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","SN1|SN1 >> Nitrosation-SN1|SN1 >> Nitrosation-SN1 >> N-Nitroso-SN1","Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","Alkyl and aryl N-nitroso groups","Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor"]
["86-30-6","benzenamine, n-nitroso-n-phenyl-;n-nitrosodiphenylamine;diphenylnitrosamine;n-nitrosodiphenylamine [diphenyl nitrosamine];nitrosodiphenylamine, n-;nitrosodiphenylamine;diphenylamine, n-nitroso-;n-nitroso-n-phenylaniline;n-nitroso-n-phenylbenzenamine;86-30-6","c1(N(c2ccccc2)N=O)ccccc1","Positive",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","SN1|SN1 >> Nitrosation-SN1|SN1 >> Nitrosation-SN1 >> N-Nitroso-SN1","Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","Alkyl and aryl N-nitroso groups","Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor"]
["87-69-4","tartaric acid;2,3-dihydroxy-succinic acid;(2r,3r)-2,3-dihydroxy-succinic acid;d-tartaric acid;(+)-tartaric acid;butanedioic acid, 2,3-dihydroxy- [r-(r,r)]-;butanedioic acid, 2,3-dihydroxy- (2r,3r)-;tartaric acid [usan:jan];(2r,3r)-2,3-dihydroxybutanedioic acid;butanedioic acid, 2,3-dihydroxy- [r-(r*,r*)]-","C(=O)(O)C(O)C(O)C(=O)O","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["91-20-3","naphthalene;naphthalene, pure;91-20-3","c12c(cccc1)cccc2","Negative",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["91-20-3","naphthalene;naphthalene, pure;91-20-3","c12c(cccc1)cccc2","Positive",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["91-20-3","naphthalene;naphthalene, pure;91-20-3","c12c(cccc1)cccc2","Negative",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system hamster","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["95-51-2","benzenamine, 2-chloro-;2-chloroaniline;chloroaniline, 2-;o-chloroaniline;2-chloro-phenylamine;2-chloro-aniline;ortho-chloroaniline;aniline, o-chloro-;1-amino-2-chlorobenzene","c1(Cl)c(N)cccc1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Primary aromatic amine,hydroxyl amine and its derived esters","Primary aromatic amine, hydroxyl amine and its derived esters"]
["95-51-2","benzenamine, 2-chloro-;2-chloroaniline;chloroaniline, 2-;o-chloroaniline;2-chloro-phenylamine;2-chloro-aniline;ortho-chloroaniline;aniline, o-chloro-;1-amino-2-chlorobenzene","c1(Cl)c(N)cccc1","Positive",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Primary aromatic amine,hydroxyl amine and its derived esters","Primary aromatic amine, hydroxyl amine and its derived esters"]
["95-80-7","1,3-benzenediamine, 4-methyl-;diaminotoluene, 2,4-;2,4-diaminotoluene;2,4-toluenediamine;4-methyl-1,3-benzenediamine;4-methyl-m-phenylenediamine;toluene-2,4-diamine;4-methylbenzene-1,3-diamine;4methylmphenylenediamine(toluene2,4diamine)anditssalts;4-methylphenylene-1,3-diamine","c1(C)c(N)cc(N)cc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","Primary aromatic amine,hydroxyl amine and its derived esters","Primary aromatic amine, hydroxyl amine and its derived esters"]
["98-86-2","acetophenone;1-phenyl-ethanone;ethanone, 1-phenyl-;1-phenylethanone;98-86-2","C(C)(=O)c1ccccc1","Positive",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["98-86-2","acetophenone;1-phenyl-ethanone;ethanone, 1-phenyl-;1-phenylethanone;98-86-2","C(C)(=O)c1ccccc1","Negative",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system hamster","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["98-92-0","nicotinamide;niacinamide;3-pyridinecarboxamide (nicotinamide);3-carbamoylpyridine;3-pyridinecarboxamide;niacinamide [usan];pyridine-3-carboxamide","C(N)(=O)c1cccnc1","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["100-01-6","benzenamine, 4-nitro-;4-nitroaniline;nitroaniline, 4-;nitroaniline, p-;p-nitroaniline;4-nitro-phenylamine;4-nitro-aniline;aniline, p-nitro-;4-nitrobenzenamine;100-01-6","c1(N)ccc(N(=O)=O)cc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN1 >> Nitrenium ion formation >> Nitro Compounds","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Nitro-aromatic (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","Nitro-aromatic|Primary aromatic amine,hydroxyl amine and its derived esters","Nitro-aromatic|Primary aromatic amine, hydroxyl amine and its derived esters"]
["101-05-3","anilazine;4,6-dichloro-n-(2-chlorophenyl)-1,3,5-triazin-2-amine;1,3,5-triazin-2-amine, 4,6-dichloro-n-(2-chlorophenyl)-;1,3,5-triazin-2-amine, 4,6-dichloro-n-(2-chlorophenyl)- (9ci)","c1(Cl)c(Nc2nc(Cl)nc(Cl)n2)cccc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","No alert found","Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","No alert found"]
["106-49-0","benzenamine, 4-methyl-;4-methylaniline (4-toluidine);p-toluidine;p-toluidine hydrochloride;p-tolylamine;p-methylaniline;4-methylaniline;4-methyl-aniline;4-toluidine;106-49-0","c1(N)ccc(C)cc1","Positive",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","Primary aromatic amine,hydroxyl amine and its derived esters","Primary aromatic amine, hydroxyl amine and its derived esters"]
["106-49-0","benzenamine, 4-methyl-;4-methylaniline (4-toluidine);p-toluidine;p-toluidine hydrochloride;p-tolylamine;p-methylaniline;4-methylaniline;4-methyl-aniline;4-toluidine;106-49-0","c1(N)ccc(C)cc1","Negative",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system hamster","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","Primary aromatic amine,hydroxyl amine and its derived esters","Primary aromatic amine, hydroxyl amine and its derived esters"]
["107-35-7","l-taurine;2-amino-ethanesulfonic acid;taurine;ethanesulfonic acid, 2-amino-;2-aminoethanesulfonic acid","C(CN)S(=O)(=O)O","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["108-60-1","propane, 2,2'-oxybis[1-chloro-;bis (1-methyl-2-chloroethyl) ether;dcip  (2,2'-oxybis-1-chloropropane);bis(2-chloro-1-methylethyl)ether, technical grade;bis(2-chloro-1-methylethyl) ether;dichloroisopropylether;bis(2-chloro-1-methyl-ethyl)ether, technical grade;bis(2-chloro-1-methylethyl)ether;propane, 2,2'-oxybis 1-chloro-;ether, bis(2-chloro-1-methylethyl);propane, 2,2'-oxybisХ1-chloro-;2,2'-oxybis(1-chloropropane);bis(1-methyl-2-chloroethyl)ether;108-60-1","C(C)(CCl)OC(C)CCl","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Heteroatom","SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides","Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Aliphatic halogens","Aliphatic halogen"]
["110-15-6","succinic acid;monosodium succinate;butanedioic acid;butanedioc acid;110-15-6","C(=O)(O)CCC(=O)O","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["121-69-7","benzenamine, n,n-dimethyl-;n,n-dimethylaniline;dimethylaniline, n, n-;dimethyl-phenyl-amine;dimethylamine, n,n'-;aniline, n,n-dimethyl-;n,ndimethylaniline;n,n-dimethylbenzenamine;121-69-7","c1(N(C)C)ccccc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine","Aromatic mono-and dialkylamine (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Aromatic mono-and dialkylamine","Aromatic mono- and dialkylamine"]
["122-34-9","1,3,5-triazine-2,4-diamine, 6-chloro-n2,n4-diethyl-;6-chloro-n,n'-diethyl-1,3,5-triazine-2,4-diamine;simazine;1,3,5-triazine-2,4-diamine, 6-chloro-n,n'-diethyl-;s-triazine, 2-chloro-4,6-bis(ethylamino)-;2-chloro-4,6-bis(ethylamino)-s-triazine","c1(Cl)nc(NCC)nc(NCC)n1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","Aromatic mono-and dialkylamine (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Aromatic mono-and dialkylamine","Aromatic mono- and dialkylamine"]
["122-34-9","1,3,5-triazine-2,4-diamine, 6-chloro-n2,n4-diethyl-;6-chloro-n,n'-diethyl-1,3,5-triazine-2,4-diamine;simazine;1,3,5-triazine-2,4-diamine, 6-chloro-n,n'-diethyl-;s-triazine, 2-chloro-4,6-bis(ethylamino)-;2-chloro-4,6-bis(ethylamino)-s-triazine","c1(Cl)nc(NCC)nc(NCC)n1","Negative",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","No alert found","No alert found","Aromatic mono-and dialkylamine (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Aromatic mono-and dialkylamine","Aromatic mono- and dialkylamine"]
["122-39-4","benzenamine, n-phenyl-;diphenylamine;n-phenylbenzenamine;diphenyl-amine;diphenyl amine;n-phenylaniline;diphenylamine,whenusedasafragrance ingredient;diphenylamine (no scald dpa);122-39-4","c1(Nc2ccccc2)ccccc1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["122-39-4","benzenamine, n-phenyl-;diphenylamine;n-phenylbenzenamine;diphenyl-amine;diphenyl amine;n-phenylaniline;diphenylamine,whenusedasafragrance ingredient;diphenylamine (no scald dpa);122-39-4","c1(Nc2ccccc2)ccccc1","Negative",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["123-11-5","4-methoxybenzaldehyde;p-anisaldehyde;benzaldehyde, 4-methoxy-;anisic aldehyde;anisaldehyde;123-11-5;4-anisaldehyde","c1(C=O)ccc(OC)cc1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","Simple aldehyde (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Simple aldehyde","Simple aldehyde"]
["127-18-4","ethene, 1,1,2,2-tetrachloro-;tetrachloroethylene;perchloroethylene;1,1,2,2-tetrachloroethylene;tetrachloroethene;ethene, tetrachloro-;perchlorethylene;tetrachloroethene (aka tetrachlorethylene);tetrachloroethylene (tce);ethylene, tetrachloro-;tetrachloroethylene,","C(Cl)(Cl)=C(Cl)Cl","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","Structural alert for nongenotoxic carcinogenicity|Trichloro (or fluoro) ethylene and Tetrachloro (or fluoro) ethylene (Nongenotox)","No alert found","No alert found","No alert found"]
["127-18-4","ethene, 1,1,2,2-tetrachloro-;tetrachloroethylene;perchloroethylene;1,1,2,2-tetrachloroethylene;tetrachloroethene;ethene, tetrachloro-;perchlorethylene;tetrachloroethene (aka tetrachlorethylene);tetrachloroethylene (tce);ethylene, tetrachloro-;tetrachloroethylene,","C(Cl)(Cl)=C(Cl)Cl","Negative",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","No alert found","No alert found","Structural alert for nongenotoxic carcinogenicity|Trichloro (or fluoro) ethylene and Tetrachloro (or fluoro) ethylene (Nongenotox)","No alert found","No alert found","No alert found"]
["139-40-2","propazine;1,3,5-triazine-2,4-diamine, 6-chloro-n,n'-bis(1-methylethyl)-;6-chloro-n,n'-diisopropyl-1,3,5-triazine-2,4-diamine;6-chloro-n,n'-bis(1-methylethyl)-1,3,5-triazine-2,4-diamine","c1(Cl)nc(NC(C)C)nc(NC(C)C)n1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["140-49-8","4'-(chloroacetyl)acetanilide;4'-(chloroacetyl)-acetanilide;(chloroacetyl)-acetanilide, 4'-;4'-(chloroacetyl) acetanilide;n-[4-(chloroacetyl)phenyl]acetamide;acetamide, n-[4-(chloroacetyl)phenyl]-;acetamide, n- 4-(chloroacetyl)phenyl -;acetanilide, 4'-(chloroacetyl)-;acetamide, n-Х4-(chloroacetyl)phenylе-;acetamide, n-(4-(chloroacetyl)phenyl)-;140-49-8","C(=O)(c1ccc(NC(C)=O)cc1)CCl","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups","No alert found","Aliphatic halogens (Genotox)|Aromatic N-acyl amine (Genotox)|Structural alert for genotoxic carcinogenicity","Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups","Aliphatic halogens|Aromatic N-acyl amine","Aliphatic halogen|Aromatic N-acyl amine|H-acceptor-path3-H-acceptor"]
["148-18-5","sodium diethyldithiocarbamate;carbamodithioic acid, diethyl-, sodium salt","C(=S)(S)N(CC)CC","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality, Conflict","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","Radical|Radical >> Generation of reactive oxygen species|Radical >> Generation of reactive oxygen species >> Thiols","SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["302-72-7","alanine;dl-alanine;(s)-2-amino-propionic acid","C(=O)(O)C(C)N","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["328-50-7","2-oxo-pentanedioic acid;pentanedioic acid, 2-oxo-;alpha-ketoglutaric acid;2-oxoglutaric acid;alpha-ketoglutaric acid alpha;glutaric acid, 2-oxo-;2-oxopentanedioic acid;kga","C(=O)(O)C(=O)CCC(=O)O","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["526-95-4","(2r,3s,4r,5r)-2,3,4,5,6-pentahydroxy-hexanoic acid;d-gluconic acid;gluconic acid solution;gluconic acid;gluconic acid, d-;d(-)pentahydroxycaproic acid","C(=O)(O)C(O)C(O)C(O)C(O)CO","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["834-12-8","ametryn;ametryne;n-ethyl-n'-isopropyl-6-(methylsulfanyl)-1,3,5-triazine-2,4-diamine;1,3,5-triazine-2,4-diamine, n-ethyl-n'-(1-methylethyl)-6-(methylthio)-;n-ethyl-n'-((1-methylethyl)-6-methylthio)-1,3,5-triazine-2,4-diamine;1,3,5-triazine-2,4-diamine, n-ethyl-n'-(1-methylethyl)-6-(methylthio)- (9ci)","c1(SC)nc(NCC)nc(NC(C)C)n1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","Aromatic mono-and dialkylamine (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Aromatic mono-and dialkylamine","Aromatic mono- and dialkylamine"]
["1014-70-6","simetryn;simetryne;n,n'-diethyl-6-(methylsulfanyl)-1,3,5-triazine-2,4-diamine;1,3,5-triazine-2,4-diamine, n,n'-diethyl-6-(methylthio)-;n,n'-diethyl-6-(methylthio)-1,3,5-triazine-2,4-diamine;1,3,5-triazine-2,4-diamine, n,n'-diethyl-6-(methylthio)- (9ci)","c1(SC)nc(NCC)nc(NCC)n1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","Aromatic mono-and dialkylamine (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Aromatic mono-and dialkylamine","Aromatic mono- and dialkylamine"]
["1634-04-4","tert-butyl methyl ether;butyl methyl ether, tert-;methyl tert-butyl ether;propane, 2-methoxy-2-methyl-;methyl t-butyl ether;methyl-t-butyl ether;2-methoxy-2-methylpropane;2-methoxy-2-methyl-propane;ether, tert-butyl methyl\"\"\";ether, tert-butyl methyl;tert-butylmethyl ether;methyl-tertiary-butyl ether;methyl tertiary-butyl ether;1,1-dimethylethyl methyl ether;ether, tert-butyl methyl\";1634-04-4","C(C)(C)(C)OC","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["1912-24-9","atrazine;6-chloro-n-ethyl-n'-isopropyl-[1,3,5]triazine-2,4-diamine;1,3,5-triazine-2,4-diamine, 6-chloro-n2-ethyl-n4-(1-methylethyl)-;1,3,5-triazine-2,4-diamine, 6-chloro-n-ethyl-n-(1-methylethyl)-;s-triazine, 2-chloro-4-(ethylamino)-6-(isopropylamino)-;1,3,5-triazine-2,4-diamine, 6-chloro-n-ethyl-n'-(1-methylethyl)-;1,3,5-triazine-2,4-diamine, 6-chloro-n-ethyl-n’-(1-methylethyl)-;6-chloro-n-ethyl-n'-isopropyl-1,3,5-triazine-2,4-diamine;6-chloro-n-ethyl-n'-(1-methylethyl)-1,3,5-triazine-2,4-diamine;atrazine technical;atrazine (endocrine effects study-special);atrazine 4l;atrazine g28279 degradate;atrazine g28273 degradate;atrazine (solution concentrate)","c1(Cl)nc(NCC)nc(NC(C)C)n1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","Aromatic mono-and dialkylamine (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Aromatic mono-and dialkylamine","Aromatic mono- and dialkylamine"]
["1912-24-9","atrazine;6-chloro-n-ethyl-n'-isopropyl-[1,3,5]triazine-2,4-diamine;1,3,5-triazine-2,4-diamine, 6-chloro-n2-ethyl-n4-(1-methylethyl)-;1,3,5-triazine-2,4-diamine, 6-chloro-n-ethyl-n-(1-methylethyl)-;s-triazine, 2-chloro-4-(ethylamino)-6-(isopropylamino)-;1,3,5-triazine-2,4-diamine, 6-chloro-n-ethyl-n'-(1-methylethyl)-;1,3,5-triazine-2,4-diamine, 6-chloro-n-ethyl-n’-(1-methylethyl)-;6-chloro-n-ethyl-n'-isopropyl-1,3,5-triazine-2,4-diamine;6-chloro-n-ethyl-n'-(1-methylethyl)-1,3,5-triazine-2,4-diamine;atrazine technical;atrazine (endocrine effects study-special);atrazine 4l;atrazine g28279 degradate;atrazine g28273 degradate;atrazine (solution concentrate)","c1(Cl)nc(NCC)nc(NC(C)C)n1","Negative",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","No alert found","No alert found","Aromatic mono-and dialkylamine (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Aromatic mono-and dialkylamine","Aromatic mono- and dialkylamine"]
["2164-17-2","fluometuron;urea, n,n-dimethyl-n'-[3-(trifluoromethyl)phenyl]-;1,1-dimethyl-3-[3-(trifluoromethyl)phenyl]urea;urea, 1,1-dimethyl-3-(alpha,alpha,alpha-trifluoro-m-tolyl)-;2164-17-2","C(F)(F)(F)c1cc(NC(=O)N(C)C)ccc1","Negative",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives","SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic phenylureas","No alert found","SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives","No alert found","H-acceptor-path3-H-acceptor"]
["6915-15-7","dl-malic acid;malic acid;2-hydroxybutanedioic acid;butanedioic acid, hydroxy-, (.+-.)-;butanedioic acid, hydroxy-","C(=O)(O)C(O)CC(=O)O","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["7235-40-7","beta-carotene;.beta.,.beta.-carotene;carotene, beta-;?,?-carotene;.beta.-carotene, all-trans-;beta,beta-carotene;beta-carotene, all-trans-","C1(C)(C)C(C=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC2C(C)(C)CCCC=2C)=C(C)CCC1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["7287-19-6","prometryn;prometryne;6-(methylsulfanyl)-n,n'-di(propan-2-yl)-1,3,5-triazine-2,4-diamine;1,3,5-triazine-2,4-diamine, n,n'-bis(1-methylethyl)-6-(methylthio)-;2,4-bis(isopropylamino)-6-methylthio-s-triazine;1,3,5-triazine-2,4-diamine, n,n'-bis(1-methylethyl)-6-(methylthio)- (9ci)","c1(SC)nc(NC(C)C)nc(NC(C)C)n1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["15972-60-8","alachlor;2-chloro-n-(2,6-diethylphenyl)-n-(methoxymethyl)acetamide;acetamide, 2-chloro-n-(2,6-diethylphenyl)-n-(methoxymethyl)-;alachlor(iso);alachlor (sulfonic acid degradate);alachlor (oxanilic acid degradate);alachlor (sulfonic acid degrad);acetamide, 2-chloro-n-(2,6-diethylphenyl)-n-(methoxymethyl)- (9ci);15972-60-8","c1(CC)c(N(C(=O)CCl)COC)c(CC)ccc1","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Aliphatic halogens","Aliphatic halogen|H-acceptor-path3-H-acceptor"]
["15972-60-8","alachlor;2-chloro-n-(2,6-diethylphenyl)-n-(methoxymethyl)acetamide;acetamide, 2-chloro-n-(2,6-diethylphenyl)-n-(methoxymethyl)-;alachlor(iso);alachlor (sulfonic acid degradate);alachlor (oxanilic acid degradate);alachlor (sulfonic acid degrad);acetamide, 2-chloro-n-(2,6-diethylphenyl)-n-(methoxymethyl)- (9ci);15972-60-8","c1(CC)c(N(C(=O)CCl)COC)c(CC)ccc1","Positive",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system hamster","No alert found","No alert found","Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Aliphatic halogens","Aliphatic halogen|H-acceptor-path3-H-acceptor"]
["17804-35-2","benomyl;carbamic acid, [1-[(butylamino)carbonyl]-1h-benzimidazol-2-yl]-, methyl ester;2-benzimidazolecarbamic acid, 1-(butylcarbamoyl)-, methyl ester;carbamic acid, Х1-Х(butylamino)carbonylе-1h-benzimidazol-2-ylе-, methyl ester;methyl [1-(butylcarbamoyl)-1h-benzimidazol-2-yl]carbamate;[1-[(butylamino)carbonyl]-1h-benzimidazol-2-yl]carbamic acid, methyl ester;carbamic acid, (1-((butylamino)carbonyl)-1h-benzimidazol-2-yl)-, methyl ester;17804-35-2","c12c(cccc1)N(C(=O)NCCCC)C(NC(=O)OC)=N2","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives","No alert found","Alkyl carbamate and thiocarbamate (Genotox)|Imidazole, benzimidazole (Nongenotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity","No alert found","Alkyl carbamate and thiocarbamate","Alkyl carbamate and thiocarbamate|H-acceptor-path3-H-acceptor"]
["110-17-8","fumaric acid;(e)-but-2-enedioic acid;2-butenedioic acid (2e)-;2-butenedioic acid (e)-;trans-butenedioic acid;2-butanedioic acid;(2e)-but-2-enedioic acid;2-butenedioic acid, (e)-;(e)-2-butenedioic acid;but-2-enedioic acid;110-17-8","C(=O)(O)C=CC(=O)O","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["133-67-5","trichlormethiazide;trichloromethiazide;2h-1,2,4-benzothiadiazine-7-sulfonamide, 6-chloro-3-(dichloromethyl)-3,4-dihydro-, 1,1-dioxide;6-chloro-3-(dichloromethyl)-3,4-dihydro-2h-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide;133-67-5","c1(Cl)c(S(N)(=O)=O)cc2c(c1)NC(C(Cl)Cl)NS2(=O)=O","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes","Acylation|Acylation >> P450 Mediated Activation to Acyl Halides|Acylation >> P450 Mediated Activation to Acyl Halides >> 1,1-Dihaloalkanes|SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Secondary aromatic amine","Aliphatic halogens (Genotox)|Benzenesulfonic ethers, methylation (Nongenotox)|Halogenated benzene (Nongenotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes","Aliphatic halogens","Aliphatic halogen|H-acceptor-path3-H-acceptor"]
["50-78-2","acetylsalicylic acid;aspirin;2-acetoxy-benzoic acid;2-(acetyloxy)benzoic acid;acetyl-salicylic acid;o-acetylsalicylic acid;benzoic acid, 2-(acetyloxy)-;asprin;rhodinesalicylic acid acetate;aspirin [ban:jan];acetyl salicylic acid;50-78-2;2-acetoxybenzoic acid","C(=O)(O)c1c(OC(C)=O)cccc1","Positive",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Specific Acetate Esters|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Specific Acetate Esters|SN2|SN2 >> Acylating agents|SN2 >> Acylating agents >> Specific Acetate Esters|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Specific Acetate Esters","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["50-78-2","acetylsalicylic acid;aspirin;2-acetoxy-benzoic acid;2-(acetyloxy)benzoic acid;acetyl-salicylic acid;o-acetylsalicylic acid;benzoic acid, 2-(acetyloxy)-;asprin;rhodinesalicylic acid acetate;aspirin [ban:jan];acetyl salicylic acid;50-78-2;2-acetoxybenzoic acid","C(=O)(O)c1c(OC(C)=O)cccc1","Negative",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system hamster","Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Specific Acetate Esters|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Specific Acetate Esters|SN2|SN2 >> Acylating agents|SN2 >> Acylating agents >> Specific Acetate Esters|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Specific Acetate Esters","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["103-84-4","acetanilide;acetamide, n-phenyl-;n-acetylaniline;n-phenylacetamide;antifebrin;103-84-4","c1(NC(C)=O)ccccc1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","Aromatic N-acyl amine (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Aromatic N-acyl amine","Aromatic N-acyl amine|H-acceptor-path3-H-acceptor"]
["136-40-3","phenazopyridine.hcl;phenazopyridine hydrochloride [usan];2,6-pyridinediamine, 3-(phenylazo)-, monohydrochloride;3-[(e)-phenyldiazenyl]pyridine-2,6-diamine hydrochloride","c1(N)c(N=Nc2ccccc2)ccc(N)n1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Moderate Quality, Conflict","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic azo|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Aromatic diazo (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Aromatic diazo|Primary aromatic amine,hydroxyl amine and its derived esters","Aromatic diazo|H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters"]
["94-26-8","butylparaben;4-hydroxy-benzoic acid butyl ester;butyl p-hydroxybenzoate;n-butyl 4-hydroxybenzoate;p-hydroxy butyl benzoate;hydroxybenzoic acid butyl ester, p-;n-butyl-p-hydroxybenzoate;butyl paraben;butyl-4-hydroxybenzoate;butyl 4-hydroxybenzoate;benzoic acid, 4-hydroxy-, butyl ester;p-hydroxybenzoic acid butyl ester","C(=O)(c1ccc(O)cc1)OCCCC","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["120-47-8","ethyl-4-hydroxybenzoate;4-hydroxy-benzoic acid ethyl ester;ethyl 4-hydroxybenzoate;p-hydroxybenzoic acid,ethyl ester;ethyl-p-hydroxybenzoate;ethylparaben;hydroxybenzoic acid ethyl ester, p-;benzoic acid, 4-hydroxy-, ethyl ester;4-hydroxybenzoic acid, ethyl ester;benzoic acid, p-hydroxy-, ethyl ester;4-hydroxybenzoic acid ethyl ester","C(=O)(c1ccc(O)cc1)OCC","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["121-75-5","malathion;butanedioic acid, [(dimethoxyphosphinothioyl)thio]-, diethylester;malathione;butanedioic acid, [(dimethoxyphosphinothioyl)thio]-, diethyl ester;diethyl 2-[(dimethoxyphosphorothioyl)sulfanyl]succinate;[(dimethoxyphosphinothioyl)thio]butanedioic acid, diethyl ester;malathion (cythion formulation);malathion/xylene mixture (malathion 5e);diethyl 2-[(dimethoxyphosphorothioyl)thio]succinate;succinic acid, mercapto-, diethyl ester, s-ester with o,o-dimethylphosphorodithioate;121-75-5","C(=O)(C(CC(=O)OCC)SP(=S)(OC)OC)OCC","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates","No alert found","No alert found","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates","No alert found","H-acceptor-path3-H-acceptor"]
["121-75-5","malathion;butanedioic acid, [(dimethoxyphosphinothioyl)thio]-, diethylester;malathione;butanedioic acid, [(dimethoxyphosphinothioyl)thio]-, diethyl ester;diethyl 2-[(dimethoxyphosphorothioyl)sulfanyl]succinate;[(dimethoxyphosphinothioyl)thio]butanedioic acid, diethyl ester;malathion (cythion formulation);malathion/xylene mixture (malathion 5e);diethyl 2-[(dimethoxyphosphorothioyl)thio]succinate;succinic acid, mercapto-, diethyl ester, s-ester with o,o-dimethylphosphorodithioate;121-75-5","C(=O)(C(CC(=O)OCC)SP(=S)(OC)OC)OCC","Positive",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates","No alert found","No alert found","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates","No alert found","H-acceptor-path3-H-acceptor"]
["99-76-3","methyl-4-hydroxybenzoate;methyl-p-hydroxybenzoate;4-hydroxy-benzoic acid methyl ester;methyl 4-hydroxybenzoate;4-hydroxy methyl benzoate;hydroxybenxoic acid methyl ester, p-;benzoic acid, 4-hydroxy-, methyl ester;methylparaben;4-hydroxybenzoic acid, methyl ester;benzoic acid, p-hydroxy-, methyl ester;methyl paraben;methyl 4-hydroxybenzoate (methylparaben);methyl 4-hydroxy benzoate","C(=O)(c1ccc(O)cc1)OC","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["26148-68-5","2-amino-9h-pyrido[2,3-b]indole;a-alpha-c;2-amino-9h-pyrido(2,3-b)indole;9h-pyrido[2,3-b]indol-2-amine;9h-pyrido(2,3-b)indole, 2-amino-","c12-c3c(cccc3)Nc1nc(N)cc2","Positive",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Heterocyclic Polycyclic Aromatic Hydrocarbons|Primary aromatic amine,hydroxyl amine and its derived esters","Heterocyclic Polycyclic Aromatic Hydrocarbons|Primary aromatic amine, hydroxyl amine and its derived esters"]
["103-90-2","4-acetamidophenol (4-hydroxyacetanilide);paracetamol;acetaminophen;n-(4-hydroxy-phenyl)-acetamide;acetamide, n-(4-hydroxyphenyl);acetaminophen [paracetamol];acetamide, n-(4-hydroxyphenyl)-;n-(4-hydroxyphenyl)acetamide;acetanilide, 4'-hydroxy-;panadol;103-90-2;4-hydroxyacetanilide","c1(O)ccc(NC(C)=O)cc1","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","Aromatic N-acyl amine (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Aromatic N-acyl amine","Aromatic N-acyl amine|H-acceptor-path3-H-acceptor"]
["968-81-0","acetohexamide;dimelin;benzenesulfonamide, 4-acetyl-n-[(cyclohexylamino)carbonyl]-;benzenesulfonamide, 4-acetyl-n- (cyclohexylamino)carbonyl -;urea, 1-Х(p-acetylphenyl)sulfonylе-3-cyclohexyl-;benzenesulfonamide, 4-acetyl-n-Х(cyclohexylamino)carbonylе-;4-acetyl-n-(cyclohexylcarbamoyl)benzenesulfonamide;4-acetyl-n-[(cyclohexylamino)carbonyl]benzenesulfonamide;benzenesulfonamide, 4-acetyl-n-((cyclohexylamino)carbonyl)-","C(C)(=O)c1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives","Acylation|Acylation >> P450 Mediated Activation to Isocyanates or Isothiocyanates|Acylation >> P450 Mediated Activation to Isocyanates or Isothiocyanates >> Sulfonylureas","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["968-81-0","acetohexamide;dimelin;benzenesulfonamide, 4-acetyl-n-[(cyclohexylamino)carbonyl]-;benzenesulfonamide, 4-acetyl-n- (cyclohexylamino)carbonyl -;urea, 1-Х(p-acetylphenyl)sulfonylе-3-cyclohexyl-;benzenesulfonamide, 4-acetyl-n-Х(cyclohexylamino)carbonylе-;4-acetyl-n-(cyclohexylcarbamoyl)benzenesulfonamide;4-acetyl-n-[(cyclohexylamino)carbonyl]benzenesulfonamide;benzenesulfonamide, 4-acetyl-n-((cyclohexylamino)carbonyl)-","C(C)(=O)c1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1","Negative",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives","Acylation|Acylation >> P450 Mediated Activation to Isocyanates or Isothiocyanates|Acylation >> P450 Mediated Activation to Isocyanates or Isothiocyanates >> Sulfonylureas","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["75-05-8","acetonitrile;acetonitrile [aka ethyl nitrile];75-05-8","C(C)#N","Negative",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["3688-53-7","furylfuramide;af-2;2-(2-furyl)-3-(5-no2furyl)acrylamide;furylfuramide (af-2);2-(2-furyl)-3-(5-nitro-2-furyl)acrylamide;2-(2-furyl)-3-(5-nitro-2-furyl) acrylamide;(2z)-2-(furan-2-yl)-3-(5-nitrofuran-2-yl)prop-2-enamide;2-furanacetamide, alpha-((5-nitro-2-furanyl)methylene)- (9ci)","C(N)(=O)C(C1=CC=CO1)=CC1=CC=C(N(=O)=O)O1","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","Michael addition|Michael addition >> P450 Mediated Activation of Heterocyclic Ring Systems|Michael addition >> P450 Mediated Activation of Heterocyclic Ring Systems >> Furans|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated amides|SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Unsaturated heterocyclic nitro","Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","Nitro-aromatic","H-acceptor-path3-H-acceptor|Nitro-aromatic"]
["3688-53-7","furylfuramide;af-2;2-(2-furyl)-3-(5-no2furyl)acrylamide;furylfuramide (af-2);2-(2-furyl)-3-(5-nitro-2-furyl)acrylamide;2-(2-furyl)-3-(5-nitro-2-furyl) acrylamide;(2z)-2-(furan-2-yl)-3-(5-nitrofuran-2-yl)prop-2-enamide;2-furanacetamide, alpha-((5-nitro-2-furanyl)methylene)- (9ci)","C(N)(=O)C(C1=CC=CO1)=CC1=CC=C(N(=O)=O)O1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","Michael addition|Michael addition >> P450 Mediated Activation of Heterocyclic Ring Systems|Michael addition >> P450 Mediated Activation of Heterocyclic Ring Systems >> Furans|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated amides|SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Unsaturated heterocyclic nitro","Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","Nitro-aromatic","H-acceptor-path3-H-acceptor|Nitro-aromatic"]
["3688-53-7","furylfuramide;af-2;2-(2-furyl)-3-(5-no2furyl)acrylamide;furylfuramide (af-2);2-(2-furyl)-3-(5-nitro-2-furyl)acrylamide;2-(2-furyl)-3-(5-nitro-2-furyl) acrylamide;(2z)-2-(furan-2-yl)-3-(5-nitrofuran-2-yl)prop-2-enamide;2-furanacetamide, alpha-((5-nitro-2-furanyl)methylene)- (9ci)","C(N)(=O)C(C1=CC=CO1)=CC1=CC=C(N(=O)=O)O1","Positive",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","Michael addition|Michael addition >> P450 Mediated Activation of Heterocyclic Ring Systems|Michael addition >> P450 Mediated Activation of Heterocyclic Ring Systems >> Furans|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated amides|SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Unsaturated heterocyclic nitro","Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","Nitro-aromatic","H-acceptor-path3-H-acceptor|Nitro-aromatic"]
["116-06-3","aldicarb;2-methyl-2-(methylthio)propionaldehyde, o-(methylcarbamoyl)oxime;propionaldehyde, 2-methyl-2-(methylthio)-, o-(methylcarbamoyl)oxime;propanal, 2-methyl-2-(methylthio)-, o-Х(methylamino)carbonylеoxime;temik;propanal, 2-methyl-2-(methylthio)-, o-[(methylamino)carbonyl]oxime;(5e)-7,7-dimethyl-4-oxa-8-thia-2,5-diazanon-5-en-3-one;2-methyl-2-(methylthio)propanol o-[(methylamino)carbonyl]oxime;aldicarb(sulfone);aldicarb(sulfoxide);(1e)-2-methyl-2-(methylthio)propanal o-[(methylamino)carbonyl]oxime;116-06-3","C(C)(C)(C=NOC(=O)NC)SC","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["2835-39-4","allyl isovalerate;allyl isovalerianate;butanoic acid, 3-methyl-, 2-propenyl ester;isovaleric acid, allyl ester\"\"\";isovaleric acid, allyl ester;prop-2-en-1-yl 3-methylbutanoate;allyl 3-methylbutanoate;isovaleric acid, allyl ester\";2835-39-4","C(=O)(CC(C)C)OCC=C","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["81-49-2","1-amino-2,4-dibromoanthraquinone;1-amino-2,4-dibromo anthraquinone;9,10-anthracenedione, 1-amino-2,4-dibromo-;anthraquinone, 1-amino-2,4-dibromo-;1-amino-2,4-dibromoanthracene-9,10-dione;1-amino-2,4-dibromo-9,10-anthraquinone","c12C(=O)c3c(C(=O)c1c(N)c(Br)cc2Br)cccc3","Negative",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","No alert found","Quinones (Genotox)|Structural alert for genotoxic carcinogenicity","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones","Quinones","H-acceptor-path3-H-acceptor|Quinones"]
["82-28-0","1-amino-2-methylanthraquinone;1-amino-2-methyl-9,10-anthracenedione;9,10-anthracenedione, 1-amino-2-methyl-;anthraquinone, 1-amino-2-methyl-;c.i. disperse orange 11\"\"\";1-amino-2-methylanthracene-9,10-dione","c12C(=O)c3c(C(=O)c1c(N)c(C)cc2)cccc3","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","No alert found","Quinones (Genotox)|Structural alert for genotoxic carcinogenicity","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","Quinones","H-acceptor-path3-H-acceptor|Quinones"]
["99-57-0","2-amino-4-nitrophenol;amino-4-nitrophenol, 2-;phenol, 2-amino-4-nitro-;2amino4nitrophenol;99-57-0","c1(O)c(N)cc(N(=O)=O)cc1","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN1 >> Nitrenium ion formation >> Nitro Compounds","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Nitro-aromatic (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","Nitro-aromatic|Primary aromatic amine,hydroxyl amine and its derived esters","H-acceptor-path3-H-acceptor|Nitro-aromatic|Primary aromatic amine, hydroxyl amine and its derived esters"]
["99-57-0","2-amino-4-nitrophenol;amino-4-nitrophenol, 2-;phenol, 2-amino-4-nitro-;2amino4nitrophenol;99-57-0","c1(O)c(N)cc(N(=O)=O)cc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN1 >> Nitrenium ion formation >> Nitro Compounds","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Nitro-aromatic (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","Nitro-aromatic|Primary aromatic amine,hydroxyl amine and its derived esters","H-acceptor-path3-H-acceptor|Nitro-aromatic|Primary aromatic amine, hydroxyl amine and its derived esters"]
["121-88-0","2-amino-5-nitrophenol;amino-5-nitrophenol, 2-;phenol, 2-amino-5-nitro-;2amino5nitrophenol;n.c.i. c55970;phenol, 2-amino-5-nitro- (8ci)(9ci)","c1(N)c(O)cc(N(=O)=O)cc1","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN1 >> Nitrenium ion formation >> Nitro Compounds","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Nitro-aromatic (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","Nitro-aromatic|Primary aromatic amine,hydroxyl amine and its derived esters","H-acceptor-path3-H-acceptor|Nitro-aromatic|Primary aromatic amine, hydroxyl amine and its derived esters"]
["119-34-6","4-amino-2-nitrophenol;amino-3-nitro-4-hydroxybenzene, 1-;4-amino-2-nitro-phenol;phenol, 4-amino-2-nitro-;4amino2nitrophenol;119-34-6","c1(O)c(N(=O)=O)cc(N)cc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN1 >> Nitrenium ion formation >> Nitro Compounds","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Nitro-aromatic (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","Nitro-aromatic|Primary aromatic amine,hydroxyl amine and its derived esters","H-acceptor-path3-H-acceptor|Nitro-aromatic|Primary aromatic amine, hydroxyl amine and its derived esters"]
["121-66-4","2-amino-5-nitrothiazole","C1(N(=O)=O)=CNC(=N)S1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Unsaturated heterocyclic nitro","No alert found","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","No alert found","H-acceptor-path3-H-acceptor"]
["117-79-3","9,10-anthracenedione, 2-amino-;2-aminoanthraquinone;2-amino-anthraquinone;anthraquinone, 2-amino-;2-aminoanthracene-9,10-dione;2-amino-9,10-anthracenedione;2-amino-9,10-anthraquinone","c12C(=O)c3c(C(=O)c1cc(N)cc2)cccc3","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Quinones (Genotox)|Structural alert for genotoxic carcinogenicity","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","Primary aromatic amine,hydroxyl amine and its derived esters|Quinones","H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters|Quinones"]
["97-56-3","2-methyl-4-[(2-methylphenyl)azo]benzenamine;o-aminoazotoluene;ortho-aminoazotoluene;2-amino-5-azotoluene [o-aminoazotoluene];solvent yellow 3;4-o-tolylazo-o-toluidine;benzenamine, 2-methyl-4-[(2-methylphenyl)azo]-;2-methyl-4-[(e)-(2-methylphenyl)diazenyl]aniline;4otolylazootoluidine;c.i. solvent yellow 3 (8ci)","c1(N)c(C)cc(N=Nc2c(C)cccc2)cc1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic azo|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Aromatic diazo (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","Aromatic diazo|Primary aromatic amine,hydroxyl amine and its derived esters","Aromatic diazo|H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters"]
["97-56-3","2-methyl-4-[(2-methylphenyl)azo]benzenamine;o-aminoazotoluene;ortho-aminoazotoluene;2-amino-5-azotoluene [o-aminoazotoluene];solvent yellow 3;4-o-tolylazo-o-toluidine;benzenamine, 2-methyl-4-[(2-methylphenyl)azo]-;2-methyl-4-[(e)-(2-methylphenyl)diazenyl]aniline;4otolylazootoluidine;c.i. solvent yellow 3 (8ci)","c1(N)c(C)cc(N=Nc2c(C)cccc2)cc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic azo|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Aromatic diazo (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","Aromatic diazo|Primary aromatic amine,hydroxyl amine and its derived esters","Aromatic diazo|H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters"]
["92-67-1","4-aminobiphenyl (4-phenylaniline);4-aminobiphenyl;biphenyl-4-ylamine;4-aminodiphenyl;4-biphenylamine;4-amino-1,1’-biphenyl [4-aminobiphenyl];4-amino-1,1'-biphenyl;4-aminobiphenyl\"\";biphenyl-4-ylamine\";[1,1'-biphenyl]-4-amine;biphenyl-4-amine;biphenyl4ylamine (4aminobiphenyl)anditssalts;4-aminobiphenyl\";(1,1'-biphenyl)-4-amine","c1(-c2ccc(N)cc2)ccccc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Primary aromatic amine,hydroxyl amine and its derived esters","Primary aromatic amine, hydroxyl amine and its derived esters"]
["2432-99-7","11-aminoundecanoic acid;aminoundecanoic acid, 11-;undecanoic acid, 11-amino-","C(=O)(O)CCCCCCCCCCN","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["142-04-1","aniline hydrochloride;aniline.hcl;benzenamine, hydrochloride","c1(N)ccccc1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality, Conflict","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","Primary aromatic amine,hydroxyl amine and its derived esters","Primary aromatic amine, hydroxyl amine and its derived esters"]
["20265-97-8","p-anisidine.hcl;benzenamine, 4-methoxy-, hydrochloride;4-(methyloxy)aniline hydrochloride","c1(OC)ccc(N)cc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality, Conflict","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Primary aromatic amine,hydroxyl amine and its derived esters","Primary aromatic amine, hydroxyl amine and its derived esters"]
["118-92-3","2-aminobenzoic acid (anthranilic acid) (2-carboxylaniline);anthranilic acid;2-amino-benzoic acid;o-anthranilic acid;2-aminobenzoic acid;benzoic acid, 2-amino-;o-aminobenzoic acid;118-92-3","C(=O)(O)c1c(N)cccc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["50-81-7","vitamin c;(r)-5-((s)-1,2-dihydroxy-ethyl)-3,4-dihydroxy-5h-furan-2-one;(s)-5-((s)-1,2-dihydroxy-ethyl)-3,4-dihydroxy-5h-furan-2-one;l-ascorbic acid;ascorbic acid;ascorbic acid, l-;d-erythro-hex-2-enonic acid, .gamma.-lactone;ascorbic acid [ban:inn:jan];ascorbic acid,l-;50-81-7","C1(=O)C(O)=C(O)C(C(O)CO)O1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","alpha,beta-unsaturated carbonyls","alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor"]
["50-81-7","vitamin c;(r)-5-((s)-1,2-dihydroxy-ethyl)-3,4-dihydroxy-5h-furan-2-one;(s)-5-((s)-1,2-dihydroxy-ethyl)-3,4-dihydroxy-5h-furan-2-one;l-ascorbic acid;ascorbic acid;ascorbic acid, l-;d-erythro-hex-2-enonic acid, .gamma.-lactone;ascorbic acid [ban:inn:jan];ascorbic acid,l-;50-81-7","C1(=O)C(O)=C(O)C(C(O)CO)O1","Negative",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","No alert found","alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","alpha,beta-unsaturated carbonyls","alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor"]
["100-52-7","benzaldehyde;100-52-7","c1(C=O)ccccc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","No alert found","Simple aldehyde (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Simple aldehyde","Simple aldehyde"]
["100-52-7","benzaldehyde;100-52-7","c1(C=O)ccccc1","Positive",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system hamster","No alert found","No alert found","Simple aldehyde (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Simple aldehyde","Simple aldehyde"]
["71-43-2","benzene;benzene, pure;71-43-2","c1ccccc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes","No alert found","No alert found","No alert found","No alert found"]
["531-85-1","benzidine dihydrochloride;benzidine.hcl;biphenyl-4,4'-diamine dihydrochloride","c1(-c2ccc(N)cc2)ccc(N)cc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality, Conflict","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Primary aromatic amine,hydroxyl amine and its derived esters","Primary aromatic amine, hydroxyl amine and its derived esters"]
["532-32-1","benzoic acid, sodium salt;sodium benzoate;benzoic acid, sodium salt\"\"\"","C(=O)(O)c1ccccc1","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality, Conflict","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["271-89-6","2,3-benzofuran;benzofuran;1-benzofuran","c12c(C=CO1)cccc2","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["119-53-9","benzoin;ethanone, 2-hydroxy-1,2-diphenyl-;2-hydroxy-1,2-diphenylethanone;(1)-2-hydroxy-1,2-diphenylethan-1-one","c1(C(=O)C(O)c2ccccc2)ccccc1","Negative",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["106-51-4","benzoquinone;benzoquinone, 4-;p-benzoquinone;1,4-benzoquinone;2,5-cyclohexadiene-1,4-dione;p-quinone;106-51-4","C1(=O)C=CC(=O)C=C1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones","Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated ketones|Michael addition >> Quinones and Quinone-type Chemicals|Michael addition >> Quinones and Quinone-type Chemicals >> Quinones","Quinones (Genotox)|Structural alert for genotoxic carcinogenicity","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones","Quinones","H-acceptor-path3-H-acceptor|Quinones"]
["140-11-4","benzyl acetate;acetic acid, phenylmethyl ester;acetic acid, benzyl ester;140-11-4","c1(COC(C)=O)ccccc1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Specific Acetate Esters|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Specific Acetate Esters|SN2|SN2 >> Acylating agents|SN2 >> Acylating agents >> Specific Acetate Esters|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Specific Acetate Esters","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes","No alert found","Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Specific Acetate Esters|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Specific Acetate Esters|SN2|SN2 >> Acylating agents|SN2 >> Acylating agents >> Specific Acetate Esters|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Specific Acetate Esters","No alert found","H-acceptor-path3-H-acceptor"]
["100-51-6","benzyl alcohol;benzenemethanol;benzylalcohol;phenyl-methanol;benzyl alcohol [inn:jan];phenylmethanol;100-51-6","c1(CO)ccccc1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes","No alert found","No alert found","No alert found","No alert found"]
["100-51-6","benzyl alcohol;benzenemethanol;benzylalcohol;phenyl-methanol;benzyl alcohol [inn:jan];phenylmethanol;100-51-6","c1(CO)ccccc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes","No alert found","No alert found","No alert found","No alert found"]
["100-44-7","benzyl chloride (a-chlorotoluene);benzyl chloride;benzene, (chloromethyl)-;alpha-chlorotoluene;±-chlorotoluene;?-chlorotoluene;(chloromethyl)benzene;toluene, .alpha.-chloro-;?chlorotoluene(benzylchloride);(alpha)-chlorotoluene;α-chlorotoluene;100-44-7","c1(CCl)ccccc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes|SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides","Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity","Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups","Aliphatic halogens","Aliphatic halogen"]
["120-32-1","o-benzyl-p-chlorophenol;5-chloro-2-hydroxydiphenylmethane;benzyl-p-chlorophenol, o-;phenol, 4-chloro-2-(phenylmethyl)-;clorophene;clorofene;o-cresol, 4-chloro-.alpha.-phenyl-;2-benzyl-4-chlorophenol;4-chloro-2-(phenylmethyl)phenol;2-benzyl-4-chlorophenol (nipacide bcp);120-32-1","c1(O)c(Cc2ccccc2)cc(Cl)cc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes","Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","No alert found"]
["92-52-4","biphenyl;1,1'-biphenyl;1,1 -biphenyl;biphenyl, 1,1-;1,1’-biphenyl;diphenyl;biphenyl formulation","c1(-c2ccccc2)ccccc1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["92-52-4","biphenyl;1,1'-biphenyl;1,1 -biphenyl;biphenyl, 1,1-;1,1’-biphenyl;diphenyl;biphenyl formulation","c1(-c2ccccc2)ccccc1","Positive",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["92-52-4","biphenyl;1,1'-biphenyl;1,1 -biphenyl;biphenyl, 1,1-;1,1’-biphenyl;diphenyl;biphenyl formulation","c1(-c2ccccc2)ccccc1","Negative",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system hamster","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["80-05-7","phenol, 4,4'-(1-methylethylidene)bis-;2,2-bis (4'-hydroxyphenyl) propane;bisphenol a;diphenylolpropane;bis-phenol a;phenol, 4,4 -(1-methylethylidene)bis-;4,4'-isopropylidenediphenol;phenol, 4,4’-(1-methylethylidene)bis-;bisphenol a (bpa);4,4'-(1-methylethylidene)bisphenol;phenol, 4,4'-isopropylidenedi-;4,4'-propane-2,2-diyldiphenol;bisphenola(4,4?isopropylidenediphenol);2,2-bis(4-hydroxyphenyl)propane;2,2-bis(4''-hydroxyphenyl) propane;80-05-7","c1(C(C)(C)c2ccc(O)cc2)ccc(O)cc1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["80-05-7","phenol, 4,4'-(1-methylethylidene)bis-;2,2-bis (4'-hydroxyphenyl) propane;bisphenol a;diphenylolpropane;bis-phenol a;phenol, 4,4 -(1-methylethylidene)bis-;4,4'-isopropylidenediphenol;phenol, 4,4’-(1-methylethylidene)bis-;bisphenol a (bpa);4,4'-(1-methylethylidene)bisphenol;phenol, 4,4'-isopropylidenedi-;4,4'-propane-2,2-diyldiphenol;bisphenola(4,4?isopropylidenediphenol);2,2-bis(4-hydroxyphenyl)propane;2,2-bis(4''-hydroxyphenyl) propane;80-05-7","c1(C(C)(C)c2ccc(O)cc2)ccc(O)cc1","Negative",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["80-05-7","phenol, 4,4'-(1-methylethylidene)bis-;2,2-bis (4'-hydroxyphenyl) propane;bisphenol a;diphenylolpropane;bis-phenol a;phenol, 4,4 -(1-methylethylidene)bis-;4,4'-isopropylidenediphenol;phenol, 4,4’-(1-methylethylidene)bis-;bisphenol a (bpa);4,4'-(1-methylethylidene)bisphenol;phenol, 4,4'-isopropylidenedi-;4,4'-propane-2,2-diyldiphenol;bisphenola(4,4?isopropylidenediphenol);2,2-bis(4-hydroxyphenyl)propane;2,2-bis(4''-hydroxyphenyl) propane;80-05-7","c1(C(C)(C)c2ccc(O)cc2)ccc(O)cc1","Negative",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["2475-45-8","c.i. disperse blue 1;1,4,5,8-tetraaminoanthraquinone;disperse blue 1;9,10-anthracenedione, 1,4,5,8-tetraamino-;duranol brilliant blue cb;anthraquinone, 1,4,5,8-tetraamino-;1,4,5,8-tetraamino-9,10-anthraquinone;1,4,5,8tetraaminoanthraquinone(disperse blue1);1,4,5,8-tetraaminoanthracene-9,10-dione;anthraquinone, 1,4,5,8-tetraamino- (8ci)","c12C(=O)c3c(C(=O)c1c(N)ccc2N)c(N)ccc3N","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Quinones (Genotox)|Structural alert for genotoxic carcinogenicity","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","Primary aromatic amine,hydroxyl amine and its derived esters|Quinones","H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters|Quinones"]
["75-27-4","1,4-dichlorobenzene;bromodichloromethane;dichlorobromomethane;methane, bromodichloro-;bromo(dichloro)methane;75-27-4","C(Cl)(Cl)Br","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes","No alert found","Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes","Aliphatic halogens","Aliphatic halogen"]
["75-27-4","1,4-dichlorobenzene;bromodichloromethane;dichlorobromomethane;methane, bromodichloro-;bromo(dichloro)methane;75-27-4","C(Cl)(Cl)Br","Positive",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes","No alert found","Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes","Aliphatic halogens","Aliphatic halogen"]
["75-27-4","1,4-dichlorobenzene;bromodichloromethane;dichlorobromomethane;methane, bromodichloro-;bromo(dichloro)methane;75-27-4","C(Cl)(Cl)Br","Negative",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system hamster","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes","No alert found","Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes","Aliphatic halogens","Aliphatic halogen"]
["106-99-0","1,3-butadiene;butadiene;buta-1,3-diene;buta1,3diene,seealsoentries464611","C(=C)C=C","Negative",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["109-69-3","butane, 1-chloro-;1-chlorobutane,;n-butyl chloride;1-chlorobutane;butyl chloride, n-;109-69-3","C(Cl)CCC","Negative",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Monohaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Monohaloalkanes|SN2 >> Ring opening SN2 reaction|SN2 >> Ring opening SN2 reaction >> Monohaloalkanes","SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides","Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Monohaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Monohaloalkanes|SN2 >> Ring opening SN2 reaction|SN2 >> Ring opening SN2 reaction >> Monohaloalkanes","Aliphatic halogens","Aliphatic halogen"]
["128-37-0","phenol, 2,6-bis(1,1-dimethylethyl)-4-methyl-;2,6-di(tert)butyl-4-methylphenol (bth);butylated hydroxytoluene;2,6-di-tert-butyl-4-methyl-phenol;2,6-di-t-butyl-4-methylphenol (bht);2,6-di-tert-butyl-p-cresol;2,6-bis(1,1-dimethylethyl)-4-methylphenol;p-cresol, 2,6-di-tert-butyl-;butylated hydroxytoluene [usan:ban];2,6-di-tert-butyl-4-methylphenol;2,6-di-t-butyl-4-methylphenol;128-37-0","C(C)(C)(C)c1c(O)c(C(C)(C)C)cc(C)c1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Alkyl phenols","No alert found","No alert found","No alert found","No alert found"]
["128-37-0","phenol, 2,6-bis(1,1-dimethylethyl)-4-methyl-;2,6-di(tert)butyl-4-methylphenol (bth);butylated hydroxytoluene;2,6-di-tert-butyl-4-methyl-phenol;2,6-di-t-butyl-4-methylphenol (bht);2,6-di-tert-butyl-p-cresol;2,6-bis(1,1-dimethylethyl)-4-methylphenol;p-cresol, 2,6-di-tert-butyl-;butylated hydroxytoluene [usan:ban];2,6-di-tert-butyl-4-methylphenol;2,6-di-t-butyl-4-methylphenol;128-37-0","C(C)(C)(C)c1c(O)c(C(C)(C)C)cc(C)c1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Alkyl phenols","No alert found","No alert found","No alert found","No alert found"]
["128-37-0","phenol, 2,6-bis(1,1-dimethylethyl)-4-methyl-;2,6-di(tert)butyl-4-methylphenol (bth);butylated hydroxytoluene;2,6-di-tert-butyl-4-methyl-phenol;2,6-di-t-butyl-4-methylphenol (bht);2,6-di-tert-butyl-p-cresol;2,6-bis(1,1-dimethylethyl)-4-methylphenol;p-cresol, 2,6-di-tert-butyl-;butylated hydroxytoluene [usan:ban];2,6-di-tert-butyl-4-methylphenol;2,6-di-t-butyl-4-methylphenol;128-37-0","C(C)(C)(C)c1c(O)c(C(C)(C)C)cc(C)c1","Negative",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Alkyl phenols","No alert found","No alert found","No alert found","No alert found"]
["592-31-4","n-butylurea;butylurea;urea, butyl-\"\"\";urea, butyl-;1-butylurea;n-1-butylurea;urea, butyl-\";592-31-4","C(N)(=O)NCCCC","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["331-39-5","caffeic acid;(e)-3-(3,4-dihydroxy-phenyl)-acrylic acid;2-propenoic acid, 3-(3,4-dihydroxyphenyl)-, (e)-;3,4-dihydroxycinnamic acid;3-(3,4-dihydroxyphenyl)-propenoic acid;2-propenoic acid, 3-(3,4-dihydroxyphenyl)-;(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid;3-(3,4-dihydroxyphenyl)-2-propenoic acid;(2e)-3-(3,4-dihydroxyphenyl)acrylic acid;2-propenoic acid, 3-(3,4-dihydroxyphenyl)- (9ci)","c1(O)c(O)cc(C=CC(=O)O)cc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["105-60-2","caprolactam;2h-azepin-2-one, hexahydro-;hexahydro-2h-azepin-2-one;caprolactum;µ-caprolactam;?-caprolactam;azepan-2-one;ε-caprolactam;e-caprolactam;hexahydro-2h-azepin-2-one (9ci);105-60-2","C1(=O)CCCCCN1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["105-60-2","caprolactam;2h-azepin-2-one, hexahydro-;hexahydro-2h-azepin-2-one;caprolactum;µ-caprolactam;?-caprolactam;azepan-2-one;ε-caprolactam;e-caprolactam;hexahydro-2h-azepin-2-one (9ci);105-60-2","C1(=O)CCCCCN1","Negative",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["133-06-2","captan;1h-isoindole-1,3(2h)-dione, 3a,4,7,7a-tetrahydro-2-[(trichloromethyl)thio]-;captan 90-concentrate  (solid);2-[(trichloromethyl)sulfanyl]-3a,4,7,7a-tetrahydro-1h-isoindole-1,3(2h)-dione;n(trichloromethylthio)4cyclohexene1,2dicarboximide(captaniso);3a,4,7,7a-tetrahydro-2-[(trichloromethyl)thio]-1h-isoindole-1,3-(2h)-dione;captan/hexachlorobenzene mixture;captan/zineb mixture;captan (thpi degradate);captan (thpam metabolite);2-[(trichloromethyl)thio]-3a,4,7,7a-tetrahydro-1h-isoindole-1,3(2h)-dione;captans;1h-isoindole-1,3(2h)-dione, 3a,4,7,7a-tetrahydro-2-((trichloromethyl)thio)-;133-06-2","C1(=O)C2C(C(=O)N1SC(Cl)(Cl)Cl)CC=CC2","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Heteroatom","No alert found","Alkyl halides (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Heteroatom","No alert found","H-acceptor-path3-H-acceptor"]
["133-06-2","captan;1h-isoindole-1,3(2h)-dione, 3a,4,7,7a-tetrahydro-2-[(trichloromethyl)thio]-;captan 90-concentrate  (solid);2-[(trichloromethyl)sulfanyl]-3a,4,7,7a-tetrahydro-1h-isoindole-1,3(2h)-dione;n(trichloromethylthio)4cyclohexene1,2dicarboximide(captaniso);3a,4,7,7a-tetrahydro-2-[(trichloromethyl)thio]-1h-isoindole-1,3-(2h)-dione;captan/hexachlorobenzene mixture;captan/zineb mixture;captan (thpi degradate);captan (thpam metabolite);2-[(trichloromethyl)thio]-3a,4,7,7a-tetrahydro-1h-isoindole-1,3(2h)-dione;captans;1h-isoindole-1,3(2h)-dione, 3a,4,7,7a-tetrahydro-2-((trichloromethyl)thio)-;133-06-2","C1(=O)C2C(C(=O)N1SC(Cl)(Cl)Cl)CC=CC2","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Heteroatom","No alert found","Alkyl halides (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Heteroatom","No alert found","H-acceptor-path3-H-acceptor"]
["133-06-2","captan;1h-isoindole-1,3(2h)-dione, 3a,4,7,7a-tetrahydro-2-[(trichloromethyl)thio]-;captan 90-concentrate  (solid);2-[(trichloromethyl)sulfanyl]-3a,4,7,7a-tetrahydro-1h-isoindole-1,3(2h)-dione;n(trichloromethylthio)4cyclohexene1,2dicarboximide(captaniso);3a,4,7,7a-tetrahydro-2-[(trichloromethyl)thio]-1h-isoindole-1,3-(2h)-dione;captan/hexachlorobenzene mixture;captan/zineb mixture;captan (thpi degradate);captan (thpam metabolite);2-[(trichloromethyl)thio]-3a,4,7,7a-tetrahydro-1h-isoindole-1,3(2h)-dione;captans;1h-isoindole-1,3(2h)-dione, 3a,4,7,7a-tetrahydro-2-((trichloromethyl)thio)-;133-06-2","C1(=O)C2C(C(=O)N1SC(Cl)(Cl)Cl)CC=CC2","Negative",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Heteroatom","No alert found","Alkyl halides (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Heteroatom","No alert found","H-acceptor-path3-H-acceptor"]
["133-06-2","captan;1h-isoindole-1,3(2h)-dione, 3a,4,7,7a-tetrahydro-2-[(trichloromethyl)thio]-;captan 90-concentrate  (solid);2-[(trichloromethyl)sulfanyl]-3a,4,7,7a-tetrahydro-1h-isoindole-1,3(2h)-dione;n(trichloromethylthio)4cyclohexene1,2dicarboximide(captaniso);3a,4,7,7a-tetrahydro-2-[(trichloromethyl)thio]-1h-isoindole-1,3-(2h)-dione;captan/hexachlorobenzene mixture;captan/zineb mixture;captan (thpi degradate);captan (thpam metabolite);2-[(trichloromethyl)thio]-3a,4,7,7a-tetrahydro-1h-isoindole-1,3(2h)-dione;captans;1h-isoindole-1,3(2h)-dione, 3a,4,7,7a-tetrahydro-2-((trichloromethyl)thio)-;133-06-2","C1(=O)C2C(C(=O)N1SC(Cl)(Cl)Cl)CC=CC2","Positive",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system hamster","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Heteroatom","No alert found","Alkyl halides (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Heteroatom","No alert found","H-acceptor-path3-H-acceptor"]
["63-25-2","carbaryl (sevin);carbaryl;1-naphthalenol, methylcarbamate;1-naphthyl-n-methylcarbamate;carbaril;carbamic acid, methyl-, 1-naphthyl ester;1-naphthyl methylcarbamate;1-naphthalenol methylcarbamate;carbaryl (sevin 4 oil);carbaryl (sevin xlr);carbaryl sevin dust formulation;carbaryl sevin xlr;carbaryl (sevin 50w formulation);naphthalen-1-yl methylcarbamate;63-25-2","c1(OC(=O)NC)c2c(cccc2)ccc1","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["56-23-5","methane, tetrachloro-;tetrachloromethane;carbon tetrachloride;carbon-tetrachloride-;carbontetrachloride;56-23-5","C(Cl)(Cl)(Cl)Cl","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","Alkyl halides (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","No alert found"]
["56-23-5","methane, tetrachloro-;tetrachloromethane;carbon tetrachloride;carbon-tetrachloride-;carbontetrachloride;56-23-5","C(Cl)(Cl)(Cl)Cl","Negative",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","No alert found","No alert found","Alkyl halides (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","No alert found"]
["120-80-9","catechol (1,2-dihydroxybenzene);catechol;benzene-1,2-diol;1,2-benzenediol;1,2-dihydroxybenzene;pyrocatechol;pyrocatechine;pyrocatechol(catechol)","c1(O)c(O)cccc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["302-17-0","chloral hydrate;choral hydrate;2,2,2-trichloro-1,1-ethanediol;1,1-ethanediol, 2,2,2-trichloro-;2,2,2-trichloroethane-1,1-diol;2,2,2trichloroethane1,1diol","C(Cl)(Cl)(Cl)C(O)O","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes","No alert found","Alkyl halides (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes","No alert found","No alert found"]
["115-28-6","bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid, 1,4,5,6,7,7-hexachloro-;1,4,5,6,7,7-hexachlorobicyclo(2,2,1)-5-heptene-2,3-dicarboxylic acid;chlorendic acid;1,4,5,6,7,7-hexachloro-8,9,10-trinorborn-5-ene-2,3-dicarboxylic acid;1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid","C12(Cl)C(Cl)(Cl)C(Cl)(C(Cl)=C1Cl)C(C(=O)O)C2C(=O)O","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation >> Vicinal Dihaloalkanes|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives","No alert found","(Poly) Halogenated Cycloalkanes (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives","No alert found","H-acceptor-path3-H-acceptor"]
["97-00-7","benzene, 1-chloro-2,4-dinitro-;1-chloro-2,4-dinitrobenzene;2,4-dinitrochlorobenzene;2,4-dinitrochlorobenzene (dncb);2,4-dinitrochlorobenzene  (dncb);2,4-dinitrochlorobenzen dncb","c1(Cl)c(N(=O)=O)cc(N(=O)=O)cc1","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro","Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","Nitro-aromatic","Nitro-aromatic"]
["97-00-7","benzene, 1-chloro-2,4-dinitro-;1-chloro-2,4-dinitrobenzene;2,4-dinitrochlorobenzene;2,4-dinitrochlorobenzene (dncb);2,4-dinitrochlorobenzene  (dncb);2,4-dinitrochlorobenzen dncb","c1(Cl)c(N(=O)=O)cc(N(=O)=O)cc1","Negative",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro","Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","Nitro-aromatic","Nitro-aromatic"]
["97-00-7","benzene, 1-chloro-2,4-dinitro-;1-chloro-2,4-dinitrobenzene;2,4-dinitrochlorobenzene;2,4-dinitrochlorobenzene (dncb);2,4-dinitrochlorobenzene  (dncb);2,4-dinitrochlorobenzen dncb","c1(Cl)c(N(=O)=O)cc(N(=O)=O)cc1","Positive",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system hamster","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro","Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","Nitro-aromatic","Nitro-aromatic"]
["563-47-3","3-chloro-2-methylprop-1-ene;chloro-2-methylpropene, 3-;3-chloro-2-methylpropene;1-propene, 3-chloro-2-methyl-;3-chloro-2-methylpropene, technical grade (containing 5% dimethylvinyl  chloride);3-chloro-2-methylpropene, technical grade;3-chloro-2-methyl-1-propene;propene, 3-chloro-2-methyl-","C(=C)(C)CCl","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups","SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides","Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity","Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups","Aliphatic halogens","Aliphatic halogen"]
["95-79-4","5-chloro-2-methylaniline;5-chloro-o-toluidine;5-chloro-orto-toluidine;benzenamine, 5-chloro-2-methyl-;o-toluidine, 5-chloro-;fast red kb base;95-79-4","c1(C)c(N)cc(Cl)cc1","Negative",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Primary aromatic amine,hydroxyl amine and its derived esters","Primary aromatic amine, hydroxyl amine and its derived esters"]
["3165-93-3","4-chloro-o-toluidine.hcl;4-chloro-2-methylbenzenamine hydrochloride;4-chloro-2-methylaniline hydrochloride","c1(N)c(C)cc(Cl)cc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality, Conflict","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Primary aromatic amine,hydroxyl amine and its derived esters","Primary aromatic amine, hydroxyl amine and its derived esters"]
["2698-41-1","o-chlorobenzalmalononitrile;o-chlorobenzalmalonitrile;o-chlorobenzylidenemalononitrile;[(2-chlorophenyl)methylene]malononitrile;propanedinitrile, [(2-chlorophenyl)methylene]-;(2-chlorobenzylidene)propanedinitrile;(o-chlorobenzylidene)malononitrile;propanedinitrile, (2-chlorophenyl)methylene -;malononitrile, (o-chlorobenzylidene)-;propanedinitrile, Х(2-chlorophenyl)methyleneе-;[(2-chlorophenyl)methylene]propanedinitrile;(2-chlorobenzylidene)malononitrile;propanedinitrile, ((2-chlorophenyl)methylene)-;2698-41-1","C(#N)C(C#N)=Cc1c(Cl)cccc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","No alert found","Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","No alert found"]
["108-90-7","benzene, chloro-;chlorobenzene;monochlorobenzene;chloro-benzene;monochlorobenzene,;108-90-7","c1(Cl)ccccc1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","No alert found"]
["108-90-7","benzene, chloro-;chlorobenzene;monochlorobenzene;chloro-benzene;monochlorobenzene,;108-90-7","c1(Cl)ccccc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","No alert found","Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","No alert found"]
["510-15-6","benzeneacetic acid, 4-chloro-.alpha.-(4-chlorophenyl)-.alpha.-hydroxy-, ethyl ester;4,4'-dichlorobenzilic acid ethyl ester;chlorobenzilate;benzilic acid, 4,4'-dichloro-, ethyl ester;ethyl bis(4-chlorophenyl)(hydroxy)acetate;4-chloro-alpha-(4-chlorophenyl)-alpha-hydroxybenzeneacetic acid ethyl ester;4,4''-dichlorobenzilic acid ethyl ester;benzeneacetic acid, 4-chloro-alpha-(4-chlorophenyl)-alpha-hydroxy-, ethyl ester;510-15-6","C(=O)(C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1)OCC","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","No alert found","Halogenated PAH (naphthalenes, biphenyls, diphenyls) (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["124-48-1","chlorodibromomethane;dibromochloromethane;methane, dibromochloro-;dibromo(chloro)methane;methane, chlorodibromo-;124-48-1","C(Cl)(Br)Br","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes","No alert found","Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes","Aliphatic halogens","Aliphatic halogen"]
["124-48-1","chlorodibromomethane;dibromochloromethane;methane, dibromochloro-;dibromo(chloro)methane;methane, chlorodibromo-;124-48-1","C(Cl)(Br)Br","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes","No alert found","Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes","Aliphatic halogens","Aliphatic halogen"]
["124-48-1","chlorodibromomethane;dibromochloromethane;methane, dibromochloro-;dibromo(chloro)methane;methane, chlorodibromo-;124-48-1","C(Cl)(Br)Br","Positive",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes","No alert found","Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes","Aliphatic halogens","Aliphatic halogen"]
["124-48-1","chlorodibromomethane;dibromochloromethane;methane, dibromochloro-;dibromo(chloro)methane;methane, chlorodibromo-;124-48-1","C(Cl)(Br)Br","Negative",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system hamster","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes","No alert found","Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes","Aliphatic halogens","Aliphatic halogen"]
["6959-47-3","2-(chloromethyl)pyridine hydrochloride;2-(chloromethyl)pyridine hydrohloride;pyridine, 2-(chloromethyl)-, hydrochloride","c1(CCl)ccccn1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality, Conflict","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups","SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides","Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity","Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups","Aliphatic halogens","Aliphatic halogen"]
["6959-48-4","3-(chloromethyl)pyridine hydrochloride;3-(chloromethyl)pyridine.hcl;3-(chloromethyl)pyridinium chloride","c1(CCl)cccnc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality, Conflict","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups","SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides","Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity","Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups","Aliphatic halogens","Aliphatic halogen"]
["150-68-5","diuron;monuron;3-(p-chlorophenyl)-1,1-dimethylurea;urea, n'-(4-chlorophenyl)-n,n-dimethyl-;urea, 3-(p-chlorophenyl)-1,1-dimethyl-;urea, n’-(4-chlorophenyl)-n,n-dimethyl-;3-(4-chlorophenyl)-1,1-dimethylurea;monuron pellet formulation;monuron formulation;150-68-5","c1(Cl)ccc(NC(=O)N(C)C)cc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives","SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic phenylureas","Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives","No alert found","H-acceptor-path3-H-acceptor"]
["1897-45-6","1,3-benzenedicarbonitrile, 2,4,5,6-tetrachloro-;tetrachloro isophthalonitrile;chlorothalonil;isophthalonitrile, tetrachloro-;2,4,5,6-tetrachloroisophthalonitrile;2,4,5,6-tetrachloro-1,3-benzenedicarbonitrile;chorothalonil;chlorothalonil(degradate)","C(#N)c1c(Cl)c(C#N)c(Cl)c(Cl)c1Cl","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["1897-45-6","1,3-benzenedicarbonitrile, 2,4,5,6-tetrachloro-;tetrachloro isophthalonitrile;chlorothalonil;isophthalonitrile, tetrachloro-;2,4,5,6-tetrachloroisophthalonitrile;2,4,5,6-tetrachloro-1,3-benzenedicarbonitrile;chorothalonil;chlorothalonil(degradate)","C(#N)c1c(Cl)c(C#N)c(Cl)c(Cl)c1Cl","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["94-20-2","chlorpropamide;benzenesulfonamide, 4-chloro-n-[(propylamino)carbonyl]-;4-chloro-n-(propylcarbamoyl)benzenesulfonamide;chlorpropamide(inn);4-chloro-n-[(propylamino)carbonyl]benzenesulfonamide;benzenesulfonamide, 4-chloro-n-((propylamino)carbonyl)-;94-20-2","c1(Cl)ccc(S(=O)(=O)NC(=O)NCCC)cc1","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives","Acylation|Acylation >> P450 Mediated Activation to Isocyanates or Isothiocyanates|Acylation >> P450 Mediated Activation to Isocyanates or Isothiocyanates >> Sulfonylureas","Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["87-29-6","cinnamyl anthranilate;2-propen-1-ol, 3-phenyl-, 2-aminobenzoate;benzoic acid, 2-amino-, 3-phenyl-2-propenyl ester;anthranilic acid, cinnamyl ester;(2e)-3-phenylprop-2-en-1-yl 2-aminobenzoate;3-phenyl-2-propen-1-ol;(<i>e</i>)-form, 2-aminobenzoyl","C(=O)(c1c(N)cccc1)OCC=Cc1ccccc1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Primary aromatic amine,hydroxyl amine and its derived esters","H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters"]
["87-29-6","cinnamyl anthranilate;2-propen-1-ol, 3-phenyl-, 2-aminobenzoate;benzoic acid, 2-amino-, 3-phenyl-2-propenyl ester;anthranilic acid, cinnamyl ester;(2e)-3-phenylprop-2-en-1-yl 2-aminobenzoate;3-phenyl-2-propen-1-ol;(<i>e</i>)-form, 2-aminobenzoyl","C(=O)(c1c(N)cccc1)OCC=Cc1ccccc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Primary aromatic amine,hydroxyl amine and its derived esters","H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters"]
["87-29-6","cinnamyl anthranilate;2-propen-1-ol, 3-phenyl-, 2-aminobenzoate;benzoic acid, 2-amino-, 3-phenyl-2-propenyl ester;anthranilic acid, cinnamyl ester;(2e)-3-phenylprop-2-en-1-yl 2-aminobenzoate;3-phenyl-2-propen-1-ol;(<i>e</i>)-form, 2-aminobenzoyl","C(=O)(c1c(N)cccc1)OCC=Cc1ccccc1","Negative",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Primary aromatic amine,hydroxyl amine and its derived esters","H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters"]
["108-94-1","cyclohexanone;108-94-1","C1(=O)CCCCC1","Negative",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["50-18-0","cyclophosphamide;2h-1,3,2-oxazaphosphorin-2-amine, n,n-bis(2-chloroethyl)tetrahydro-, 2-oxide;n,n-bis(2-chloroethyl)-1,3,2-oxazaphosphinan-2-amine 2-oxide;cyclophosphamide(inn)anditssalts;n,n-bis(2-chloroethyl)tetrahydro-2h-1,3,2-oxazaphosphorin-2-amine 2-oxide;2h-1,3,2-oxazaphosphorin-2-amine, n,n-bis(2-chloroethyl)tetrahydro-, 2-oxide (9ci)","C1CCNP(=O)(N(CCCl)CCCl)O1","Positive",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Nitrogen Mustards|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates","SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> Mustards","S or N mustard (Genotox)|Structural alert for genotoxic carcinogenicity","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates","S or N mustard","H-acceptor-path3-H-acceptor|S or N mustard"]
["50-18-0","cyclophosphamide;2h-1,3,2-oxazaphosphorin-2-amine, n,n-bis(2-chloroethyl)tetrahydro-, 2-oxide;n,n-bis(2-chloroethyl)-1,3,2-oxazaphosphinan-2-amine 2-oxide;cyclophosphamide(inn)anditssalts;n,n-bis(2-chloroethyl)tetrahydro-2h-1,3,2-oxazaphosphorin-2-amine 2-oxide;2h-1,3,2-oxazaphosphorin-2-amine, n,n-bis(2-chloroethyl)tetrahydro-, 2-oxide (9ci)","C1CCNP(=O)(N(CCCl)CCCl)O1","Negative",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system hamster","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Nitrogen Mustards|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates","SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> Mustards","S or N mustard (Genotox)|Structural alert for genotoxic carcinogenicity","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates","S or N mustard","H-acceptor-path3-H-acceptor|S or N mustard"]
["80-08-0","dapsone;4,4'-sulfonylbisbenzenamine;di(p-aminophenyl)sulfone;4,4'-sulfonyldianiline;\"\"4,4'-sulfonylbisbenzenamine\"\"\";benzenamine, 4,4’-sulfonylbis-;benzenamine, 4,4'-sulfonylbis-;aniline, 4,4'-sulfonyldi-;80-08-0","c1(S(=O)(=O)c2ccc(N)cc2)ccc(N)cc1","Negative",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Primary aromatic amine,hydroxyl amine and its derived esters","Primary aromatic amine, hydroxyl amine and its derived esters"]
["50-29-3","clofenotane;p,p'-ddt;ddt, p,p'-;ddt;1,1-(2,2,2-trichloroethylidene)bis(4-chlorobenzene);dichlorodiphenyl trichloroethane (ddt);1,1'-(2,2,2-trichloroethylidene) bis(4-chloro)-benzene;dichloro diphenyl trichloroethane;benzene, 1,1'-(2,2,2-trichloroethylidene)bis[4-chloro-;benzene, 1,1'-(2,2,2-trichloroethylidene)bis 4-chloro-;ethane, 1,1,1-trichloro-2,2-bis(p-chlorophenyl)-;benzene, 1,1'-(2,2,2-trichloroethylidene)bis(4-chloro-;1,1'-(2,2,2-trichloroethane-1,1-diyl)bis(4-chlorobenzene);clofenotane(inn);ddt(iso);1,1'-(2,2,2-trichloroethylidene)bis[4-chlorobenzene];ddt (cancelled in u.s.);4,4''-dichlorodiphenyltrichloroethane;1,1,1-trichloro-2,2-bis-(4-chlorophenyl) ethane;50-29-3","C(Cl)(Cl)(Cl)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1","Negative",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes","No alert found","Alkyl halides (Nongenotox)|Halogenated PAH (naphthalenes, biphenyls, diphenyls) (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes","No alert found","No alert found"]
["1163-19-5","benzene, 1,1'-oxybis[2,3,4,5,6-pentabromo-;decabromobiphenyl oxide;decabromodiphenyl ether;decabromodiphenyl oxide;decabromodiphenyl oxide, technical grade (77.4% dbdpo, 21.8% nonabromodiphenyl oxide, 0.8% octabromodiphenyl oxide);benzene, 1,1 -oxybis[2,3,4,5,6-pentabromo-;decabromo diphenyloxide;decabromodiphenil oxide;bis(pentabromophenyl) ether;benzene, 1,1’-oxybis[2,3,4,5,6-pentabromo-;1,1'-oxybis(2,3,4,5,6-pentabromobenzene);benzene, 1,1'-oxybis 2,3,4,5,6-pentabromo-;ether, bis(pentabromophenyl);benzene, 1,1'-oxybisХ2,3,4,5,6-pentabromo-;1,1'-oxybis(pentabromobenzene);benzene, 1,1'-oxybis(2,3,4,5,6-pentabromo-","c1(Br)c(Br)c(Br)c(Br)c(Br)c1Oc1c(Br)c(Br)c(Br)c(Br)c1Br","Negative",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","No alert found","Halogenated PAH (naphthalenes, biphenyls, diphenyls) (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","1-phenoxy-benzene"]
["131-17-9","diallylphthalate;phthalic acid, diallylester;diallyl phthalate;1,2-benzenedicarboxylic acid, 1,2-di-2-propen-1-yl ester;diallyl phtalate;1,2-benzenedicarboxylic acid, di-2-propenyl ester;phthalic acid diallylester;phthalic acid, diallyl ester","C(=O)(c1c(C(=O)OCC=C)cccc1)OCC=C","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","No alert found","Phtalate (or buthyl) diesters and monoesters (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["39156-41-7","2,4-diaminoanisole sulfate;4-methoxy-m-phenylenediammonium sulphate;1,3-benzenediamine, 4-methoxy-, sulfate (1:1);2,4-diaminoanisole sulphate;4-(methyloxy)benzene-1,3-diamine sulfate","c1(OC)c(N)cc(N)cc1","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality, Conflict","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Primary aromatic amine,hydroxyl amine and its derived esters","H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters"]
["39156-41-7","2,4-diaminoanisole sulfate;4-methoxy-m-phenylenediammonium sulphate;1,3-benzenediamine, 4-methoxy-, sulfate (1:1);2,4-diaminoanisole sulphate;4-(methyloxy)benzene-1,3-diamine sulfate","c1(OC)c(N)cc(N)cc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality, Conflict","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Primary aromatic amine,hydroxyl amine and its derived esters","H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters"]
["6369-59-1","2,5-diaminotoluene sulfate;1,4-benzenediamine, 2-methyl-, sulfate;2-methylbenzene-1,4-diamine sulfate","c1(N)c(C)cc(N)cc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality, Conflict","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","Primary aromatic amine,hydroxyl amine and its derived esters","Primary aromatic amine, hydroxyl amine and its derived esters"]
["439-14-5","diazepam;2h-1,4-benzodiazepin-2-one, 7-chloro-1,3-dihydro-1-methyl-5-phenyl-;7-chloro-1-methyl-5-phenyl-1,3-dihydro-2h-1,4-benzodiazepin-2-one;7-chloro-1,3-dihydro-1-methyl-5-phenyl-2h-1,4 benzodiazepine","c1(C2c3c(ccc(Cl)c3)N(C)C(=O)CN=2)ccccc1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["333-41-5","phosphorothioic acid, o,o-diethyl o-[6-methyl-2-(1-methylethyl)-4-pyrimidinyl] ester;diazinon;diazinon (technical);phosphorothioic acid, o,o-diethyl o-(2-isopropyl-6-methyl-4-pyrimidinyl) ester;phosphorothioic acid, o,o-diethyl o-Х6-methyl-2-(1-methylethyl)-4-pyrimidinylеester;phosphorothioic acid, o,o-diethyl 2-isopropyl-6-methyl-4-pyrimidinyl ester;o,o-diethyl o-(2-isopropyl-6-methylpyrimidin-4-yl) phosphorothioate;o,o-diethyl o-[6-methyl-2-(1-methylethyl)-4-pyrimidinyl] ester phosphorothioic acid;diazinon (san 326 10 g);diazinon 2fm (knox out);diazinon (ag 500 formulation);diazinon/piperonyl butoxide/pyrethrin mix;o,o-diethyl o-[6-methyl-2-(1-methylethyl)pyrimidin-4-yl] thiophosphate;phosphorothioic acid, o,o-dimethyl o-[6-methyl-2-(1-methylethyl)-4-pyrimidinyl] ester;o,o-diethyl-o-(2-isopropyl-4-methyl-6-pyrimidinyl) thiophosphoric acid);phosphorothioic acid, o,o-diethyl o-(6-methyl-2-(1-methylethyl)-4-pyrimidinyl) ester;333-41-5","c1(C(C)C)nc(OP(=S)(OCC)OCC)cc(C)n1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates","No alert found","No alert found","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates","No alert found","No alert found"]
["333-41-5","phosphorothioic acid, o,o-diethyl o-[6-methyl-2-(1-methylethyl)-4-pyrimidinyl] ester;diazinon;diazinon (technical);phosphorothioic acid, o,o-diethyl o-(2-isopropyl-6-methyl-4-pyrimidinyl) ester;phosphorothioic acid, o,o-diethyl o-Х6-methyl-2-(1-methylethyl)-4-pyrimidinylеester;phosphorothioic acid, o,o-diethyl 2-isopropyl-6-methyl-4-pyrimidinyl ester;o,o-diethyl o-(2-isopropyl-6-methylpyrimidin-4-yl) phosphorothioate;o,o-diethyl o-[6-methyl-2-(1-methylethyl)-4-pyrimidinyl] ester phosphorothioic acid;diazinon (san 326 10 g);diazinon 2fm (knox out);diazinon (ag 500 formulation);diazinon/piperonyl butoxide/pyrethrin mix;o,o-diethyl o-[6-methyl-2-(1-methylethyl)pyrimidin-4-yl] thiophosphate;phosphorothioic acid, o,o-dimethyl o-[6-methyl-2-(1-methylethyl)-4-pyrimidinyl] ester;o,o-diethyl-o-(2-isopropyl-4-methyl-6-pyrimidinyl) thiophosphoric acid);phosphorothioic acid, o,o-diethyl o-(6-methyl-2-(1-methylethyl)-4-pyrimidinyl) ester;333-41-5","c1(C(C)C)nc(OP(=S)(OCC)OCC)cc(C)n1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates","No alert found","No alert found","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates","No alert found","No alert found"]
["53-70-3","dibenz[a,h]anthracene;dibenzo(a,h)anthracene;dibenz(a,h)anthracene;dibenzo[a,h]anthracene;1,2,5,6-dibenzanthracene;dibenzathracene;benzo[k]tetraphene","c12c(c3c(cc4c5c(ccc4c3)cccc5)cc1)cccc2","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1","Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons"]
["96-12-8","propane, 1,2-dibromo-3-chloro-;dibromochloropropane;1,2-dibromo-3-chloropropane;1,2dibromo3chloropropane;96-12-8","C(Br)(CCl)CBr","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","SN2|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation >> Vicinal Dihaloalkanes","SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> 1,2-Dihaloalkanes","Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Aliphatic halogens","Aliphatic halogen"]
["106-93-4","ethane, 1,2-dibromo-;1,2-dibromoethane;dibromoethane, 1,2-;ethylene dibromide;1,2,dibromoethane;1,2dibromoethane;106-93-4","C(Br)CBr","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","SN2|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation >> Vicinal Dihaloalkanes","SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> 1,2-Dihaloalkanes","Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Aliphatic halogens","Aliphatic halogen"]
["609-20-1","2,6-dichloro-p-phenylenediamine;2,6-dichloro-para-phenylenediamine;dichloro-p-phenylenediamine, 2,6-;2,6-dichloro-benzene-1,4-diamine;2,6-dichlorobenzene-1,4-diamine;1,4-benzenediamine, 2,6-dichloro-;p-phenylenediamine, 2,6-dichloro-;2,6-dichloro-1,4-benzenediamine","c1(Cl)c(N)c(Cl)cc(N)c1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","No alert found","No alert found","No alert found","No alert found","No alert found"]
["79-43-6","dichloracetic acid;dichloro-acetic acid;acetic acid, 2,2-dichloro-;dichloroacetic acid;acetic acid, dichloro-\"\"\";dichloro acetic acid;acetic acid, dichloro-;acetic acid, dichloro-\";79-43-6","C(=O)(O)C(Cl)Cl","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups","No alert found","Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups","Aliphatic halogens","Aliphatic halogen|H-acceptor-path3-H-acceptor"]
["95-50-1","benzene, 1,2-dichloro-;1,2-dichlorobenzene;dichlorobenzene, 1,2-;dichlorobenzene, -o;dichlorobenzene, o-;o-dichlorobenzene;1,2-dichlorobenzene (o-dichlorobenzene);benzene, o-dichloro-;o-dichlorobenzene,;95-50-1","c1(Cl)c(Cl)cccc1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["95-50-1","benzene, 1,2-dichloro-;1,2-dichlorobenzene;dichlorobenzene, 1,2-;dichlorobenzene, -o;dichlorobenzene, o-;o-dichlorobenzene;1,2-dichlorobenzene (o-dichlorobenzene);benzene, o-dichloro-;o-dichlorobenzene,;95-50-1","c1(Cl)c(Cl)cccc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["95-50-1","benzene, 1,2-dichloro-;1,2-dichlorobenzene;dichlorobenzene, 1,2-;dichlorobenzene, -o;dichlorobenzene, o-;o-dichlorobenzene;1,2-dichlorobenzene (o-dichlorobenzene);benzene, o-dichloro-;o-dichlorobenzene,;95-50-1","c1(Cl)c(Cl)cccc1","Negative",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["106-46-7","benzene, 1,4-dichloro-;1,4-dichlorobenzene;dichlorobenzene, 1,4-;dichlorobenzene, p-;dichlorobenzene;para-dichlorobenzene;p-dichlorobenzene;1,4-dichlorobenzene (p-dichlorobenzene);benzene, p-dichloro-;1,4dichlorobenzene;(pdichlorobenzene);paradichlorobenzene;106-46-7","c1(Cl)ccc(Cl)cc1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","No alert found"]
["106-46-7","benzene, 1,4-dichloro-;1,4-dichlorobenzene;dichlorobenzene, 1,4-;dichlorobenzene, p-;dichlorobenzene;para-dichlorobenzene;p-dichlorobenzene;1,4-dichlorobenzene (p-dichlorobenzene);benzene, p-dichloro-;1,4dichlorobenzene;(pdichlorobenzene);paradichlorobenzene;106-46-7","c1(Cl)ccc(Cl)cc1","Negative",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","No alert found","No alert found","Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","No alert found"]
["75-34-3","1,1-dichloroethane;dichloroethane, 1,1-;ethane, 1,1-dichloro-;75-34-3","C(C)(Cl)Cl","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes","Acylation|Acylation >> P450 Mediated Activation to Acyl Halides|Acylation >> P450 Mediated Activation to Acyl Halides >> 1,1-Dihaloalkanes","Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes","Aliphatic halogens","Aliphatic halogen"]
["75-34-3","1,1-dichloroethane;dichloroethane, 1,1-;ethane, 1,1-dichloro-;75-34-3","C(C)(Cl)Cl","Negative",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes","Acylation|Acylation >> P450 Mediated Activation to Acyl Halides|Acylation >> P450 Mediated Activation to Acyl Halides >> 1,1-Dihaloalkanes","Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes","Aliphatic halogens","Aliphatic halogen"]
["120-83-2","phenol, 2,4-dichloro-;2,4-dichlorophenol;dichlorophenol, 2,4-;chlorophenol, 2,4-;2,4-dichloro-phenol;2,4-dichlorophenol (dcp);120-83-2","c1(O)c(Cl)cc(Cl)cc1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["120-83-2","phenol, 2,4-dichloro-;2,4-dichlorophenol;dichlorophenol, 2,4-;chlorophenol, 2,4-;2,4-dichloro-phenol;2,4-dichlorophenol (dcp);120-83-2","c1(O)c(Cl)cc(Cl)cc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["120-83-2","phenol, 2,4-dichloro-;2,4-dichlorophenol;dichlorophenol, 2,4-;chlorophenol, 2,4-;2,4-dichloro-phenol;2,4-dichlorophenol (dcp);120-83-2","c1(O)c(Cl)cc(Cl)cc1","Negative",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["94-75-7","acetic acid, 2-(2,4-dichlorophenoxy)-;dichlorophenoxyacetic acid, 2,4-;2,4-dichlorophenoxyacetic acid;(2,4-dichloro-phenoxy)-acetic acid;2,4-d ph < 5;2,4-d ph > 5;2,4-d (2,4-dichlorophenoxyacetic acid);2,4-dichlorophenoxyaceticacid;2,4-d;(2,4-dichlorophenoxy)acetic acid;2,4-dichloro-phenoxyacetic acid;acetic acid, (2,4-dichlorophenoxy)-;2-(2,4-dichlorophenoxy)acetic acid;2,4-d acid;2,4-d acid/2,4,5-t mixture (emulsamine);2,4-d/mcpp mixture;2,4-d/picloram potassium salt mixture;2,4-d/picloram potassium salt (tordon 22k);94-75-7","c1(OCC(=O)O)c(Cl)cc(Cl)cc1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["94-75-7","acetic acid, 2-(2,4-dichlorophenoxy)-;dichlorophenoxyacetic acid, 2,4-;2,4-dichlorophenoxyacetic acid;(2,4-dichloro-phenoxy)-acetic acid;2,4-d ph < 5;2,4-d ph > 5;2,4-d (2,4-dichlorophenoxyacetic acid);2,4-dichlorophenoxyaceticacid;2,4-d;(2,4-dichlorophenoxy)acetic acid;2,4-dichloro-phenoxyacetic acid;acetic acid, (2,4-dichlorophenoxy)-;2-(2,4-dichlorophenoxy)acetic acid;2,4-d acid;2,4-d acid/2,4,5-t mixture (emulsamine);2,4-d/mcpp mixture;2,4-d/picloram potassium salt mixture;2,4-d/picloram potassium salt (tordon 22k);94-75-7","c1(OCC(=O)O)c(Cl)cc(Cl)cc1","Negative",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["78-87-5","propane, 1,2-dichloro-;1,2-dichloropropane;dichloropropane, 1,2-;propylene dichloride;\"\"1,2-dichloro-propane\"\"\";1,2-dichloropropane,;1,2-dichloro-propane;78-87-5","C(C)(Cl)CCl","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","SN2|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation >> Vicinal Dihaloalkanes","SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> 1,2-Dihaloalkanes","Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Aliphatic halogens","Aliphatic halogen"]
["62-73-7","dichlorvos;phosphoric acid, 2,2-dichloroethenyl dimethyl ester;phosphoric acid, 2,2-dichlorovinyl dimethyl ester;2,2-dichlorovinyl dimethyl phosphate;phosphoric acid 2,2-dichloroethenyl dimethyl ester;2,2-dichloroethenyl dimethyl phosphate;62-73-7","C(Cl)(Cl)=COP(=O)(OC)OC","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates","No alert found","Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid (Genotox)|Structural alert for genotoxic carcinogenicity","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates","Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid","Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid|H-acceptor-path3-H-acceptor"]
["62-73-7","dichlorvos;phosphoric acid, 2,2-dichloroethenyl dimethyl ester;phosphoric acid, 2,2-dichlorovinyl dimethyl ester;2,2-dichlorovinyl dimethyl phosphate;phosphoric acid 2,2-dichloroethenyl dimethyl ester;2,2-dichloroethenyl dimethyl phosphate;62-73-7","C(Cl)(Cl)=COP(=O)(OC)OC","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates","No alert found","Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid (Genotox)|Structural alert for genotoxic carcinogenicity","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates","Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid","Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid|H-acceptor-path3-H-acceptor"]
["115-32-2","dicofol;dicofol (kelthane);kelthane;dicofol op;dicofol = kelthane;trichloroethanol, 1,1-bis(parachlorophenyl)2,2,2-;2,2,2-trichloro-1,1-bis(4-chlorophenyl)ethanol;benzenemethanol, 4-chloro-.alpha.-(4-chlorophenyl)-.alpha.-(trichloromethyl)-;4-chloro-alpha-(4-chlorophenyl)-alpha-(trichloromethyl)benzenemethanol;dicofol kethane 35 formulation;dicofol (kelthane 35);1,1-bis(p-chlorophenyl)-2,2,2-trichloroethanol;1,1-bis (p-chlorophenyl)-2,2,2-trichloroethanol;benzenemethanol, 4-chloro-alpha-(4-chlorophenyl)-alpha-(trichloromethyl)-;115-32-2","C(Cl)(Cl)(Cl)C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes","No alert found","Alkyl halides (Nongenotox)|Halogenated PAH (naphthalenes, biphenyls, diphenyls) (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes","No alert found","No alert found"]
["115-32-2","dicofol;dicofol (kelthane);kelthane;dicofol op;dicofol = kelthane;trichloroethanol, 1,1-bis(parachlorophenyl)2,2,2-;2,2,2-trichloro-1,1-bis(4-chlorophenyl)ethanol;benzenemethanol, 4-chloro-.alpha.-(4-chlorophenyl)-.alpha.-(trichloromethyl)-;4-chloro-alpha-(4-chlorophenyl)-alpha-(trichloromethyl)benzenemethanol;dicofol kethane 35 formulation;dicofol (kelthane 35);1,1-bis(p-chlorophenyl)-2,2,2-trichloroethanol;1,1-bis (p-chlorophenyl)-2,2,2-trichloroethanol;benzenemethanol, 4-chloro-alpha-(4-chlorophenyl)-alpha-(trichloromethyl)-;115-32-2","C(Cl)(Cl)(Cl)C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes","No alert found","Alkyl halides (Nongenotox)|Halogenated PAH (naphthalenes, biphenyls, diphenyls) (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes","No alert found","No alert found"]
["115-32-2","dicofol;dicofol (kelthane);kelthane;dicofol op;dicofol = kelthane;trichloroethanol, 1,1-bis(parachlorophenyl)2,2,2-;2,2,2-trichloro-1,1-bis(4-chlorophenyl)ethanol;benzenemethanol, 4-chloro-.alpha.-(4-chlorophenyl)-.alpha.-(trichloromethyl)-;4-chloro-alpha-(4-chlorophenyl)-alpha-(trichloromethyl)benzenemethanol;dicofol kethane 35 formulation;dicofol (kelthane 35);1,1-bis(p-chlorophenyl)-2,2,2-trichloroethanol;1,1-bis (p-chlorophenyl)-2,2,2-trichloroethanol;benzenemethanol, 4-chloro-alpha-(4-chlorophenyl)-alpha-(trichloromethyl)-;115-32-2","C(Cl)(Cl)(Cl)C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1","Negative",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes","No alert found","Alkyl halides (Nongenotox)|Halogenated PAH (naphthalenes, biphenyls, diphenyls) (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes","No alert found","No alert found"]
["60-57-1","2,7:3,6-dimethanonaphth[2,3-b]oxirene, 3,4,5,6,9,9-hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-, (1ar,2r,2as,3s,6r,6ar,7s,7as)-rel-;dieldrin;dieldrin [inn:ban];3,4,5,6,9,9-hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-2,7:3,6-dimethanonaphtho[2,3-b]oxirene;2,7:3,6-dimethanonaphth[2,3-b]oxirene, 3,4,5,6,9,9-hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-, (1a.alpha.,2.beta.,2a.alpha.,3.beta.,6.beta.,6a.alpha.,7.beta.,7a.alpha.)-;(1a alpha, 2 beta, 2a alpha, 3 beta, 6 beta, 6a alpha, 7 beta, 7a alpha)-3,4,5,6,9,9-hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-2,7:3,6-dimethanonaphth[2,3-b]oxirene;dieldrin (cancelled in u.s.);2,7:3,6-dimethanonaphth(2,3-b)oxirene, 3,4,5,6,9,9-hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-, (1aalpha,2beta,2aalpha,3beta,6beta,6aalpha,7beta,7aalpha)-","C12(Cl)C(Cl)(Cl)C(Cl)(C(Cl)=C1Cl)C1C3C4C(C(C21)C3)O4","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation >> Vicinal Dihaloalkanes|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives","SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides","(Poly) Halogenated Cycloalkanes (Nongenotox)|Epoxides and aziridines (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives","Epoxides and aziridines","Epoxides and aziridines"]
["13366-73-9","photodieldrin;dieldrin, photo-;2a,3,3,4,5,5a-hexachlorodecahydro-1ah-2,4,6-(methanetriyl)cyclopenta[4,5]pentaleno[1,2-b]oxirene","C12(Cl)C3(Cl)C(Cl)(Cl)C(Cl)(C4C5C6C(C(C34)C15)O6)C2Cl","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation >> Vicinal Dihaloalkanes","SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides","(Poly) Halogenated Cycloalkanes (Nongenotox)|Epoxides and aziridines (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines","Epoxides and aziridines","Epoxides and aziridines"]
["101-90-6","diglycidyl resorcinol ether;diglycidyl resorcinol ether, technical grade;oxirane, 2,2'- 1,3-phenylenebis(oxymethylene) bi;diglycidyl resorcinol ether (dgre);oxirane, 2,2'- 1,3-phenylenebis(oxymethylene) bis-;benzene, m-bis(2,3-epoxypropoxy)-;oxirane, 2,2'-Õ1,3-phenylenebis(oxymethylene)åbis-\"\"\";m-bis(2,3-epoxypropoxy)benzene;oxirane, 2,2’-[1,3-phenylenebis(oxymethylene)]bis-;oxirane, 2,2'-[1,3-phenylenebis(oxymethylene)]bis-;2,2'-[1,3-phenylenebis(oxymethylene)]dioxirane;resorcinoldiglycidylether;oxirane, 2,2'-Х1,3-phenylenebis(oxymethylene)еbis-;diglycidyl resorcinol ether (technical grade);1,3-bis(2,3-epoxypropoxy)benzene;oxirane, 2,2'-Х1,3-phenylenebis(oxymethylene)еbis-\";oxirane, 2,2'-(1,3-phenylenebis(oxymethylene))bis-;101-90-6","c1(OCC2CO2)cc(OCC2CO2)ccc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines","SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides","Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines","Epoxides and aziridines","1,3-dialkoxy-benzene|Epoxides and aziridines|H-acceptor-path3-H-acceptor"]
["60-51-5","phosphorodithioic acid, o,o-dimethyl s-[2-(methylamino)-2-oxoethyl] ester;dimethoate;o,o-dimethyl-s-(n-methylcarbamoylmethyl) phosphorodithioate;phosphorodithioic acid, o,o-dimethyl s-[2-methylamino)-2-oxoethyl]ester;phosphorodithioic acid, o,o-dimethyl ester, s-ester with 2-mercapto-n-methylacetamide;phosphorodithioic acid, o,o-dimethyl s-(2-(methylamino)-2-oxoethyl) ester;phosphorodithioic acid, o,o-dimethyl s-(methylcarbamoylmethyl) ester;o,o-dimethyl s-[2-(methylamino)-2-oxoethyl] phosphorodithioate;dimethoate ( replicate study i);dimethoate (replicate study ii);dimethoate (cygon 267 formulation);o,o-dimethyl s-[2-(methylamino)-2-oxoethyl] dithiophosphate;60-51-5","C(=O)(CSP(=S)(OC)OC)NC","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates","No alert found","No alert found","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates","No alert found","H-acceptor-path3-H-acceptor"]
["20325-40-0","benzidine, 3,3'-dimethoxy-, dihydrochloride;[1,1'-biphenyl]-4,4'-diamine, 3,3'-dimethoxy-, dihydrochloride;(1,1'-biphenyl)-4,4'-diamine, 3,3'-dimethoxy-, dihydrochloride\"\"\";[1,1’-biphenyl]-4,4’-diamine, 3,3’-dimethoxy-, dihydrochloride;3,3'-dimethoxybiphenyl-4,4'-diamine dihydrochloride","c1(-c2cc(OC)c(N)cc2)cc(OC)c(N)cc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality, Conflict","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Primary aromatic amine,hydroxyl amine and its derived esters","H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters"]
["868-85-9","dimethyl hydrogen phosphite;phosphonic acid, dimethyl ester;dimethyl phosphite;dimethyl hydrogen phosphate;dimethyl phosphonate;868-85-9","COP(=O)OC","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates","No alert found","Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid (Genotox)|Structural alert for genotoxic carcinogenicity","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates","Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid","Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid|H-acceptor-path3-H-acceptor"]
["756-79-6","dimethyl methylphosphonate;phosphonic acid, methyl-, dimethyl ester;[methoxy(methyl)phosphoryl]oxymethane;756-79-6","COP(C)(=O)OC","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates","SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Phosphonic esters","Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid (Genotox)|Structural alert for genotoxic carcinogenicity","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates","Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid","Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid|H-acceptor-path3-H-acceptor"]
["120-61-6","dimethyl terephthalate;1,4-benzenedicarboxylic acid, 1,4-dimethyl ester;dimethylterephthalate;1,4-benzenedicarboxylic acid, dimethyl ester;terephthalic acid, dimethyl ester;dimethyl benzene-1,4-dicarboxylate","C(=O)(c1ccc(C(=O)OC)cc1)OC","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["120-61-6","dimethyl terephthalate;1,4-benzenedicarboxylic acid, 1,4-dimethyl ester;dimethylterephthalate;1,4-benzenedicarboxylic acid, dimethyl ester;terephthalic acid, dimethyl ester;dimethyl benzene-1,4-dicarboxylate","C(=O)(c1ccc(C(=O)OC)cc1)OC","Negative",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["58-15-1","aminopyrine;4-dimethylamino-1,5-dimethyl-2-phenyl-1,2-dihydro-pyrazol-3-one;4-dimethylaminoantipyrine;pyrazole, 2,3-dihydro-4-dimethylamino-1,5-dimethyl-3-oxo-2-phenyl-:;aminophenazone;3h-pyrazol-3-one, 4-(dimethylamino)-1,2-dihydro-1,5-dimethyl-2-phenyl-;4-(dimethylamino)-1,5-dimethyl-2-phenyl-1,2-dihydro-3h-pyrazol-3-one","C1(=O)C(N(C)C)=C(C)N(C)N1c1ccccc1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Tertiary (unsaturated) heterocyclic amine","alpha,beta-unsaturated carbonyls (Genotox)|Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","alpha,beta-unsaturated carbonyls|Hydrazine","alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor|Hydrazine"]
["57-97-6","7,12-dimethylbenz[a]anthracene;7,12-dimethylbenz(a)anthracene;7,12-dimethyl-1,2-benz(a)anthracene;7,12-dime-benz(a)anthracene;9,10-dimethyl-1,2-benzanthracene;7,12-dimethyl benzanthracene;benz[a]anthracene, 7,12-dimethyl-;dimethylbenz[a]anthracene (dmba);7,12-dimethyltetraphene;7,12-dimethylbenz[alpha]anthracene;benz(a)anthracene, 7,12-dimethyl-;57-97-6","c12c(c3c(C)c4c(c(C)c3cc1)cccc4)cccc2","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition|SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1","Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons"]
["57-97-6","7,12-dimethylbenz[a]anthracene;7,12-dimethylbenz(a)anthracene;7,12-dimethyl-1,2-benz(a)anthracene;7,12-dime-benz(a)anthracene;9,10-dimethyl-1,2-benzanthracene;7,12-dimethyl benzanthracene;benz[a]anthracene, 7,12-dimethyl-;dimethylbenz[a]anthracene (dmba);7,12-dimethyltetraphene;7,12-dimethylbenz[alpha]anthracene;benz(a)anthracene, 7,12-dimethyl-;57-97-6","c12c(c3c(C)c4c(c(C)c3cc1)cccc4)cccc2","Positive",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition|SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1","Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons"]
["79-44-7","dimethylcarbamoyl chloride;dimethylcarbamyl chloride;carbamic chloride, dimethyl-;carbamoyl chloride, dimethyl-;dimethylcarbamic chloride;dimethylcarbamoylchloride;79-44-7","C(=O)(Cl)N(C)C","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","Acylation|Acylation >> Direct Addition of an Acyl Halide|Acylation >> Direct Addition of an Acyl Halide >> Alkyl carbamyl halides|SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","Acyl halides (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Acyl halides","Acyl halides|H-acceptor-path3-H-acceptor"]
["68-12-2","formamide, n,n-dimethyl-;dimethylformamide;n,n-dimethylformamide;n,n'-dimethylformamide;dimethylformamide (dmf);dimethylformamide(n,ndimethylformamide);dimethyl formamide;68-12-2","C(=O)N(C)C","Negative",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["57-14-7","1,1-dimethylhydrazine;n,n-dimethyl-hydrazine;dimazine;dimethyl hydrazine;n,n-dimethylhydrazine;hydrazine, 1,1-dimethyl-;57-14-7","CN(C)N","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"Nucleophilic addition|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization >> Hydrazine Derivatives|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Hydrazine Derivatives","No alert found","Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Hydrazine","H-acceptor-path3-H-acceptor|Hydrazine"]
["57-14-7","1,1-dimethylhydrazine;n,n-dimethyl-hydrazine;dimazine;dimethyl hydrazine;n,n-dimethylhydrazine;hydrazine, 1,1-dimethyl-;57-14-7","CN(C)N","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","Nucleophilic addition|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization >> Hydrazine Derivatives|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Hydrazine Derivatives","No alert found","Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Hydrazine","H-acceptor-path3-H-acceptor|Hydrazine"]
["57-14-7","1,1-dimethylhydrazine;n,n-dimethyl-hydrazine;dimazine;dimethyl hydrazine;n,n-dimethylhydrazine;hydrazine, 1,1-dimethyl-;57-14-7","CN(C)N","Positive",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","Nucleophilic addition|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization >> Hydrazine Derivatives|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Hydrazine Derivatives","No alert found","Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Hydrazine","H-acceptor-path3-H-acceptor|Hydrazine"]
["513-37-1","2,2-dimethylvinyl chloride;dimethylvinyl chloride (dmvc);dimethylvinyl chloride;1-chloro-2-methylpropene;1-chloro-2-methylprop-1-ene;1-propene, 1-chloro-2-methyl-;propene, 1-chloro-2-methyl-;513-37-1","C(C)(C)=CCl","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","No alert found","Monohaloalkene (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Monohaloalkene","Monohaloalkene"]
["121-14-2","2,4-dinitrotoluene;dinitrotoluene, 2,4-;2,4-dinitrotoluene (containing 1.0-1.5% 2,6-dinitrotoluene);2,4-dinitrotoluene (containing 0.5% 2,6-dinitrotoluene);2,4-dinitrotoluene, practical grade;benzene, 1-methyl-2,4-dinitro-;2,4-dinitro-1-methylbenzene;2,4-dinitrotoluene (purified);toluene, 2,4-dinitro-;1-methyl-2,4-dinitrobenzene;2,4dinitrotoluene;dinitrotoluene,technical grade","c1(C)c(N(=O)=O)cc(N(=O)=O)cc1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro","Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","Nitro-aromatic","Nitro-aromatic"]
["121-14-2","2,4-dinitrotoluene;dinitrotoluene, 2,4-;2,4-dinitrotoluene (containing 1.0-1.5% 2,6-dinitrotoluene);2,4-dinitrotoluene (containing 0.5% 2,6-dinitrotoluene);2,4-dinitrotoluene, practical grade;benzene, 1-methyl-2,4-dinitro-;2,4-dinitro-1-methylbenzene;2,4-dinitrotoluene (purified);toluene, 2,4-dinitro-;1-methyl-2,4-dinitrobenzene;2,4dinitrotoluene;dinitrotoluene,technical grade","c1(C)c(N(=O)=O)cc(N(=O)=O)cc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro","Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","Nitro-aromatic","Nitro-aromatic"]
["121-14-2","2,4-dinitrotoluene;dinitrotoluene, 2,4-;2,4-dinitrotoluene (containing 1.0-1.5% 2,6-dinitrotoluene);2,4-dinitrotoluene (containing 0.5% 2,6-dinitrotoluene);2,4-dinitrotoluene, practical grade;benzene, 1-methyl-2,4-dinitro-;2,4-dinitro-1-methylbenzene;2,4-dinitrotoluene (purified);toluene, 2,4-dinitro-;1-methyl-2,4-dinitrobenzene;2,4dinitrotoluene;dinitrotoluene,technical grade","c1(C)c(N(=O)=O)cc(N(=O)=O)cc1","Negative",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro","Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","Nitro-aromatic","Nitro-aromatic"]
["123-91-1","1,4-dioxane;1,4,-dioxane;[1,4]dioxane;1-4 dioxane;p-dioxane;dioxane","C1COCCO1","Negative",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["78-34-2","dioxathion;s,s'-1,4-dioxane-2,3-diyl o,o,o',o'-tetraethyl bis(phosphorodithioate);delnav;s,s'-1,4-dioxane-2,3-diyl o,o,o',o'-tetraethyl bis(dithiophosphate);a mixture consisting essentially of cis- and trans-s,s'-5,5'-p-dioxane-2,3-diyl bis(o,o-diethyl phosphorodithioate);78-34-2","C1(SP(=S)(OCC)OCC)C(SP(=S)(OCC)OCC)OCCO1","Negative",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates","No alert found","No alert found","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates","No alert found","H-acceptor-path3-H-acceptor"]
["147-24-0","diphenhydramine.hcl;diphenhydramine hydrochloride [ban:jan];ethanamine, 2-(diphenylmethoxy)-n,n-dimethyl-, hydrochloride;2-[(diphenylmethyl)oxy]-n,n-dimethylethanamine hydrochloride","c1(C(c2ccccc2)OCCN(C)C)ccccc1","Negative",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Moderate Quality, Conflict","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes|SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["74-31-7","1,4-benzenediamine, n1,n4-diphenyl-;n.n'-diphenyl-p-phenylenediamine;n,n'-diphenyl-p-phenylenediamine;n,n'-diphenyl-p-benzenediamine;diphenyl-p-phenylenediamine;1,4-benzenediamine, n,n -diphenyl-;1,4-benzenediamine, n,n'-diphenyl-;1,4-benzenediamine, n,n’-diphenyl-;p-phenylenediamine, n,n'-diphenyl-;n,n'-diphenylbenzene-1,4-diamine;n,n'-diphenyl-1,4-benzenediamine;n.n''-diphenyl-p-phenylenediamine;4,4'-diphenyl-p-phenylenediamine","c1(Nc2ccccc2)ccc(Nc2ccccc2)cc1","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["74-31-7","1,4-benzenediamine, n1,n4-diphenyl-;n.n'-diphenyl-p-phenylenediamine;n,n'-diphenyl-p-phenylenediamine;n,n'-diphenyl-p-benzenediamine;diphenyl-p-phenylenediamine;1,4-benzenediamine, n,n -diphenyl-;1,4-benzenediamine, n,n'-diphenyl-;1,4-benzenediamine, n,n’-diphenyl-;p-phenylenediamine, n,n'-diphenyl-;n,n'-diphenylbenzene-1,4-diamine;n,n'-diphenyl-1,4-benzenediamine;n.n''-diphenyl-p-phenylenediamine;4,4'-diphenyl-p-phenylenediamine","c1(Nc2ccccc2)ccc(Nc2ccccc2)cc1","Negative",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["57-41-0","5,5-diphenylimidazolidine-2,4-dione;diphenylhydantoin;phenytoin;5,5-diphenylhydantoin;diphenylhydantoin, 5,5'-;diphenylhydantoin, 5,5-;2,4-imidazolidinedione, 5,5-diphenyl-;hydantoin, 5,5-diphenyl-;5,5-diphenyl-2,4-imidazolidinedione","C1(=O)C(c2ccccc2)(c2ccccc2)NC(=O)N1","Negative",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["150-38-9","trisodium ethylenediaminetetraacetate;glycine, n,n’-1,2-ethanediylbis[n-(carboxymethyl)-, trisodium salt;trisodium 2,2'-({2-[(carboxylatomethyl)(carboxymethyl)amino]ethyl}imino)diacetate trihydrate","C(=O)(O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O","Negative",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality, Conflict","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["134-72-5","ephedrine sulphate;benzenemethanol, ?-[1-(methylamino)ethyl]-, [r-(r,s)]-, sulfate (2:1) (salt);(1r,2s)-2-(methylamino)-1-phenylpropan-1-ol sulfate (2:1) (salt)","c1(C(O)C(C)NC)ccccc1","Negative",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality, Conflict","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["106-89-8","epichlorohydrin;oxirane, 2-(chloromethyl)-;1-chloro-2,3-epoxypropane;(chloromethyl)oxirane;epichlorhydrin;(chloromethyl) oxirane;oxirane, (chloromethyl)-;propane, 1-chloro-2,3-epoxy-;2-(chloromethyl)oxirane;1chloro2,3epoxypropane (epichlorohydrin);106-89-8","C1(CCl)CO1","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines","SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides","Aliphatic halogens (Genotox)|Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines","Aliphatic halogens|Epoxides and aziridines","Aliphatic halogen|Epoxides and aziridines"]
["106-89-8","epichlorohydrin;oxirane, 2-(chloromethyl)-;1-chloro-2,3-epoxypropane;(chloromethyl)oxirane;epichlorhydrin;(chloromethyl) oxirane;oxirane, (chloromethyl)-;propane, 1-chloro-2,3-epoxy-;2-(chloromethyl)oxirane;1chloro2,3epoxypropane (epichlorohydrin);106-89-8","C1(CCl)CO1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines","SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides","Aliphatic halogens (Genotox)|Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines","Aliphatic halogens|Epoxides and aziridines","Aliphatic halogen|Epoxides and aziridines"]
["106-89-8","epichlorohydrin;oxirane, 2-(chloromethyl)-;1-chloro-2,3-epoxypropane;(chloromethyl)oxirane;epichlorhydrin;(chloromethyl) oxirane;oxirane, (chloromethyl)-;propane, 1-chloro-2,3-epoxy-;2-(chloromethyl)oxirane;1chloro2,3epoxypropane (epichlorohydrin);106-89-8","C1(CCl)CO1","Positive",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines","SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides","Aliphatic halogens (Genotox)|Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines","Aliphatic halogens|Epoxides and aziridines","Aliphatic halogen|Epoxides and aziridines"]
["106-88-7","1,2-epoxybutane;oxirane, 2-ethyl-;1,2-butyleneoxide;1,2-butylene oxide;2-ethyl-oxirane;oxirane, ethyl-;epoxybutane;butane, 1,2-epoxy-;2-ethyloxirane;1,2epoxybutane;106-88-7","C1(CC)CO1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines","SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides","Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines","Epoxides and aziridines","Epoxides and aziridines"]
["6381-77-7","sodium erythorbate;d-erythro-hex-2-enonic acid, .gamma.-lactone, monosodium salt;araboascorbic acid, monosodium salt, d-\"\"\";2,3-didehydro-3-o-sodio-d-erythro-hexono-1,4-lactone;d-erythro-hex-2-enonic acid, ?-lactone, monosodium salt;gamma-lactone-d-erythro-hex-2-enoic acid monosodium salt;sodium (2r)-2-[(2r)-3,4-dihydroxy-5-oxo-2,5-dihydrofuran-2-yl]-2-hydroxyethanolate","C1(=O)C(O)=C(O)C(C(O)CO)O1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality, Conflict","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","alpha,beta-unsaturated carbonyls","alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor"]
["6381-77-7","sodium erythorbate;d-erythro-hex-2-enonic acid, .gamma.-lactone, monosodium salt;araboascorbic acid, monosodium salt, d-\"\"\";2,3-didehydro-3-o-sodio-d-erythro-hexono-1,4-lactone;d-erythro-hex-2-enonic acid, ?-lactone, monosodium salt;gamma-lactone-d-erythro-hex-2-enoic acid monosodium salt;sodium (2r)-2-[(2r)-3,4-dihydroxy-5-oxo-2,5-dihydrofuran-2-yl]-2-hydroxyethanolate","C1(=O)C(O)=C(O)C(C(O)CO)O1","Negative",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality, Conflict","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","No alert found","No alert found","alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","alpha,beta-unsaturated carbonyls","alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor"]
["50-28-2","beta-estradiol, 17;17beta-estradiol;estradiol;beta estradiol;17-b-estradiol;estra-1,3,5(10)-triene-3,17-diol (17?)-;(17beta)-estra-1(10),2,4-triene-3,17-diol;estra-1,3,5(10)-triene-3,17-diol, (17.beta.)-;(17beta)estra-1,3,5(10)triene-3,17-diol;estra-1,3,5(10)-triene-3,17-diol;17b-estradiol (e2);estra-1,3,5(10)-triene-3,17-diol, (17beta)-;17?-form","c12c(C3C(C4C(C)(C(O)CC4)CC3)CC1)ccc(O)c2","Negative",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","No alert found","Steroidal estrogens (nongenotoxic & genotoxic)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity","No alert found","No alert found","No alert found"]
["536-33-4","ethionamide;2-ethylpyridine-4-carbothioamide;ethionamide(inn);isonicotinimidic acid, 2-ethylthio-;536-33-4","C(N)(=S)c1cc(CC)ncc1","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","Structural alert for nongenotoxic carcinogenicity|Thiocarbonyl (Nongenotox)","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["536-33-4","ethionamide;2-ethylpyridine-4-carbothioamide;ethionamide(inn);isonicotinimidic acid, 2-ethylthio-;536-33-4","C(N)(=S)c1cc(CC)ncc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","No alert found","Structural alert for nongenotoxic carcinogenicity|Thiocarbonyl (Nongenotox)","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["67-21-0","dl-ethionine;2-amino-4-ethylsulfanyl-butyric acid;ethionine dl-;homocysteine, s-ethyl-;dl-2-amino-4-(ethylthio)butyric acid;s-ethylhomocysteine;dl-homocysteine, s-ethyl-;s-ethyl-dl-homocysteine;butyric acid, 2-amino-4-(ethylthio)-, dl-","C(=O)(O)C(N)CCSCC","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["67-21-0","dl-ethionine;2-amino-4-ethylsulfanyl-butyric acid;ethionine dl-;homocysteine, s-ethyl-;dl-2-amino-4-(ethylthio)butyric acid;s-ethylhomocysteine;dl-homocysteine, s-ethyl-;s-ethyl-dl-homocysteine;butyric acid, 2-amino-4-(ethylthio)-, dl-","C(=O)(O)C(N)CCSCC","Negative",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["67-21-0","dl-ethionine;2-amino-4-ethylsulfanyl-butyric acid;ethionine dl-;homocysteine, s-ethyl-;dl-2-amino-4-(ethylthio)butyric acid;s-ethylhomocysteine;dl-homocysteine, s-ethyl-;s-ethyl-dl-homocysteine;butyric acid, 2-amino-4-(ethylthio)-, dl-","C(=O)(O)C(N)CCSCC","Negative",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["938-73-8","o-ethoxybenzamide;benzamide, 2-ethoxy-;ethenzamide;benzamide, o-ethoxy-\"\"\";benzamide, o-ethoxy-;2-ethoxybenzamide;benzamide, o-ethoxy-\";938-73-8","C(N)(=O)c1c(OCC)cccc1","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["938-73-8","o-ethoxybenzamide;benzamide, 2-ethoxy-;ethenzamide;benzamide, o-ethoxy-\"\"\";benzamide, o-ethoxy-;2-ethoxybenzamide;benzamide, o-ethoxy-\";938-73-8","C(N)(=O)c1c(OCC)cccc1","Positive",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["140-88-5","ethyl acrylate;2-propenoic acid;2-propenoic acid, ethyl ester;acrylic acid ethyl ester;ethylacrylate,whenusedasafragrance ingredient;140-88-5;et ester","C(=O)(C=C)OCC","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated esters","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["140-88-5","ethyl acrylate;2-propenoic acid;2-propenoic acid, ethyl ester;acrylic acid ethyl ester;ethylacrylate,whenusedasafragrance ingredient;140-88-5;et ester","C(=O)(C=C)OCC","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated esters","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["64-17-5","ethanol;ethyl alcohol;ethyl alcohol [ethanol];alcohol [usan];ethanol/ 4 quat formulation (chlorox p198);64-17-5","C(C)O","Negative",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["63885-23-4","n-ethyl-n'-nitro-n-nitrosoguanidine;1-ethyl-3-nitro-1-nitrosoguanidine;n'-ethyl-n-nitro-n-nitrosoguanidine","C(=N)(N(CC)N=O)NN(=O)=O","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2","Aliphatic N-nitro group (Genotox)|Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","Aliphatic N-nitro group|Alkyl and aryl N-nitroso groups","Aliphatic N-nitro group|Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor"]
["103-23-1","adipic acid, di (2-ethylhexyl) ester;di(2-ethylhexyl) adipate;hexanedioic acid, 1,6-bis(2-ethylhexyl) ester;di(2-ethylhexyl)adipate;di-(2-ethylhexyl) adipate;di-2-ethylhexyl adipate;bis(2-ethylhexyl)adipate;bis(2-ethylhexyl) adipate;hexanedioic acid, bis(2-ethylhexyl) ester;hexanedioic acid, bis(2-ethylhexyl)ester;adipic acid, bis(2-ethylhexyl) ester;bis(2-ethylhexyl) hexanedioate;bis(2-ethylhexyl)ester hexanedioic acid;di (2-ethylhehyl) adipate;103-23-1","C(=O)(CCCCC(=O)OCC(CCCC)CC)OCC(CCCC)CC","Negative",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","No alert found","Phtalate (or buthyl) diesters and monoesters (Nongenotox)|Structural alert for nongenotoxic carcinogenicity|Substituted n-alkylcarboxylic acids (Nongenotox)","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["117-81-7","1,2-benzenedicarboxylic acid, 1,2-bis(2-ethylhexyl) ester;diethylhexyl phthalate;phthalic acid, di-2-ethylhexylester (dehp);di-(2-ethylhexyl) phthalate;di(2-ethylhexyl) phthalate;bis(2-ethylhexyl)phthalate;di(2-ethylhexyl)phthalate;bis(2-ethylhexyl) phthlate;1,2-benzenedicarboxylic acid, bis(2-ethylhexyl) ester;di (2-ethylhexyl) phthalate (dehp);diethylhexyl phthalate (dehp);bis(2-ethylhexyl) phthalate;1,2-benzenedicarboxylic acid;di(2-ethylhexyl) phthalate (dehp);phthalic acid, bis(2-ethylhexyl) ester;1,2-benzenedicarboxylic acid, bis(2-ethylhexyl) estervan;bis(2ethylhexyl) phthalate(diethylhexyl phthalate);1,2-benzenedicarboxylic acid, bis(2-ethylhexyl)ester;di-sec-octyl phthalate;benzene-1,2-dicarboxylic acid bis (2-ethylhexyl) ester;bis(2-ethylhexyl) ester","C(=O)(c1c(C(=O)OCC(CCCC)CC)cccc1)OCC(CCCC)CC","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","Phtalate (or buthyl) diesters and monoesters (Nongenotox)|Structural alert for nongenotoxic carcinogenicity|Substituted n-alkylcarboxylic acids (Nongenotox)","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["117-81-7","1,2-benzenedicarboxylic acid, 1,2-bis(2-ethylhexyl) ester;diethylhexyl phthalate;phthalic acid, di-2-ethylhexylester (dehp);di-(2-ethylhexyl) phthalate;di(2-ethylhexyl) phthalate;bis(2-ethylhexyl)phthalate;di(2-ethylhexyl)phthalate;bis(2-ethylhexyl) phthlate;1,2-benzenedicarboxylic acid, bis(2-ethylhexyl) ester;di (2-ethylhexyl) phthalate (dehp);diethylhexyl phthalate (dehp);bis(2-ethylhexyl) phthalate;1,2-benzenedicarboxylic acid;di(2-ethylhexyl) phthalate (dehp);phthalic acid, bis(2-ethylhexyl) ester;1,2-benzenedicarboxylic acid, bis(2-ethylhexyl) estervan;bis(2ethylhexyl) phthalate(diethylhexyl phthalate);1,2-benzenedicarboxylic acid, bis(2-ethylhexyl)ester;di-sec-octyl phthalate;benzene-1,2-dicarboxylic acid bis (2-ethylhexyl) ester;bis(2-ethylhexyl) ester","C(=O)(c1c(C(=O)OCC(CCCC)CC)cccc1)OCC(CCCC)CC","Negative",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","No alert found","Phtalate (or buthyl) diesters and monoesters (Nongenotox)|Structural alert for nongenotoxic carcinogenicity|Substituted n-alkylcarboxylic acids (Nongenotox)","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["117-81-7","1,2-benzenedicarboxylic acid, 1,2-bis(2-ethylhexyl) ester;diethylhexyl phthalate;phthalic acid, di-2-ethylhexylester (dehp);di-(2-ethylhexyl) phthalate;di(2-ethylhexyl) phthalate;bis(2-ethylhexyl)phthalate;di(2-ethylhexyl)phthalate;bis(2-ethylhexyl) phthlate;1,2-benzenedicarboxylic acid, bis(2-ethylhexyl) ester;di (2-ethylhexyl) phthalate (dehp);diethylhexyl phthalate (dehp);bis(2-ethylhexyl) phthalate;1,2-benzenedicarboxylic acid;di(2-ethylhexyl) phthalate (dehp);phthalic acid, bis(2-ethylhexyl) ester;1,2-benzenedicarboxylic acid, bis(2-ethylhexyl) estervan;bis(2ethylhexyl) phthalate(diethylhexyl phthalate);1,2-benzenedicarboxylic acid, bis(2-ethylhexyl)ester;di-sec-octyl phthalate;benzene-1,2-dicarboxylic acid bis (2-ethylhexyl) ester;bis(2-ethylhexyl) ester","C(=O)(c1c(C(=O)OCC(CCCC)CC)cccc1)OCC(CCCC)CC","Negative",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","No alert found","No alert found","Phtalate (or buthyl) diesters and monoesters (Nongenotox)|Structural alert for nongenotoxic carcinogenicity|Substituted n-alkylcarboxylic acids (Nongenotox)","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["41340-25-4","etodolac;pyrano[3,4-b]indole-1-acetic acid, 1,8-diethyl-1,3,4,9-tetrahydro-;(1,8-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl)acetic acid;pyrano(3,4-b)indole-1-acetic acid, 1,3,4,9-tetrahydro-1,8-diethyl-;41340-25-4","C12c3c(c(CC)ccc3)NC=1C(CC(=O)O)(CC)OCC2","Negative",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["97-53-0","eugenol (4-allyl-2-methoxyphenol);eugenol;4-allyl-2-methoxy-phenol;1-allyl-3-methoxy-4-hydroxybenzene;phenol, 2-methoxy-4-(2-propenyl)-;phenol, 4-allyl-2-methoxy-;2-methoxy-4-(prop-2-en-1-yl)phenol;2-methoxy-4-(2-propenyl)phenol;4-allyl-2-methoxyphenol;97-53-0","c1(O)c(OC)cc(CC=C)cc1","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones|SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Allyl benzenes","Alkylbenzenes (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["97-53-0","eugenol (4-allyl-2-methoxyphenol);eugenol;4-allyl-2-methoxy-phenol;1-allyl-3-methoxy-4-hydroxybenzene;phenol, 2-methoxy-4-(2-propenyl)-;phenol, 4-allyl-2-methoxy-;2-methoxy-4-(prop-2-en-1-yl)phenol;2-methoxy-4-(2-propenyl)phenol;4-allyl-2-methoxyphenol;97-53-0","c1(O)c(OC)cc(CC=C)cc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones|SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Allyl benzenes","Alkylbenzenes (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["140-56-7","methyl orange b;sodium (e)-[4-(dimethylamino)phenyl]diazenesulfonate","c1(N=NS(=O)(=O)O)ccc(N(C)C)cc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality, Conflict","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["110-00-9","furan","C1C=COC=1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","Michael addition|Michael addition >> P450 Mediated Activation of Heterocyclic Ring Systems|Michael addition >> P450 Mediated Activation of Heterocyclic Ring Systems >> Furans","No alert found","No alert found","No alert found","No alert found"]
["98-01-1","2-furaldehyde;furfural;2-furancarboxaldehyde;fufural;furan-2-aldehyde","C1(C=O)=CC=CO1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","Michael addition|Michael addition >> P450 Mediated Activation of Heterocyclic Ring Systems|Michael addition >> P450 Mediated Activation of Heterocyclic Ring Systems >> Furans","Simple aldehyde (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Simple aldehyde","H-acceptor-path3-H-acceptor|Simple aldehyde"]
["54-31-9","furosemide;4-chloro-2-[(furan-2-ylmethyl)-amino]-5-sulfamoyl-benzoic acid;benzoic acid, 5-(aminosulfonyl)-4-chloro-2-[(2-furanylmethyl)amino]-;4-chloro-2-[(furan-2-ylmethyl)amino]-5-sulfamoylbenzoic acid;5-(aminosulfonyl)-4-chloro-2-[(furan-2-ylmethyl)amino]benzoic acid;benzoic acid, 5-(aminosulfonyl)-4-chloro-2-((2-furanylmethyl)amino)-;54-31-9","C(=O)(O)c1c(NCC2=CC=CO2)cc(Cl)c(S(N)(=O)=O)c1","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","Michael addition|Michael addition >> P450 Mediated Activation of Heterocyclic Ring Systems|Michael addition >> P450 Mediated Activation of Heterocyclic Ring Systems >> Furans","Benzenesulfonic ethers, methylation (Nongenotox)|Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["54-31-9","furosemide;4-chloro-2-[(furan-2-ylmethyl)-amino]-5-sulfamoyl-benzoic acid;benzoic acid, 5-(aminosulfonyl)-4-chloro-2-[(2-furanylmethyl)amino]-;4-chloro-2-[(furan-2-ylmethyl)amino]-5-sulfamoylbenzoic acid;5-(aminosulfonyl)-4-chloro-2-[(furan-2-ylmethyl)amino]benzoic acid;benzoic acid, 5-(aminosulfonyl)-4-chloro-2-((2-furanylmethyl)amino)-;54-31-9","C(=O)(O)c1c(NCC2=CC=CO2)cc(Cl)c(S(N)(=O)=O)c1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","Michael addition|Michael addition >> P450 Mediated Activation of Heterocyclic Ring Systems|Michael addition >> P450 Mediated Activation of Heterocyclic Ring Systems >> Furans","Benzenesulfonic ethers, methylation (Nongenotox)|Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["54-31-9","furosemide;4-chloro-2-[(furan-2-ylmethyl)-amino]-5-sulfamoyl-benzoic acid;benzoic acid, 5-(aminosulfonyl)-4-chloro-2-[(2-furanylmethyl)amino]-;4-chloro-2-[(furan-2-ylmethyl)amino]-5-sulfamoylbenzoic acid;5-(aminosulfonyl)-4-chloro-2-[(furan-2-ylmethyl)amino]benzoic acid;benzoic acid, 5-(aminosulfonyl)-4-chloro-2-((2-furanylmethyl)amino)-;54-31-9","C(=O)(O)c1c(NCC2=CC=CO2)cc(Cl)c(S(N)(=O)=O)c1","Negative",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","No alert found","Michael addition|Michael addition >> P450 Mediated Activation of Heterocyclic Ring Systems|Michael addition >> P450 Mediated Activation of Heterocyclic Ring Systems >> Furans","Benzenesulfonic ethers, methylation (Nongenotox)|Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["67730-11-4","2-amino-6-methyldipyrido[1,2-a:3',2'-d]imidazole;glu-p-1;2-amino-6-methyldipyrido(1,2-a:3',2'-d)imidazole;glu-p-1\"\"\";6-methylimidazo[1,2-a:5,4-b']dipyridin-2-amine","C12C(C)=CC=CN1c1c(ccc(N)n1)N=2","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Imidazole, benzimidazole (Nongenotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity","No alert found","Heterocyclic Polycyclic Aromatic Hydrocarbons|Primary aromatic amine,hydroxyl amine and its derived esters","H-acceptor-path3-H-acceptor|Heterocyclic Polycyclic Aromatic Hydrocarbons|Primary aromatic amine, hydroxyl amine and its derived esters"]
["67730-10-3","2-aminodipyrido[1,2-a:3',2'-d]imidazole;glu-p-2;2-aminodipyrido(1,2-a:3',2'-d)imidazole;glu-p-2\"\"\";imidazo[1,2-a:5,4-b']dipyridin-2-amine","c12c(ccc(N)n1)N=C1C=CC=CN21","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Imidazole, benzimidazole (Nongenotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity","No alert found","Heterocyclic Polycyclic Aromatic Hydrocarbons|Primary aromatic amine,hydroxyl amine and its derived esters","H-acceptor-path3-H-acceptor|Heterocyclic Polycyclic Aromatic Hydrocarbons|Primary aromatic amine, hydroxyl amine and its derived esters"]
["67730-10-3","2-aminodipyrido[1,2-a:3',2'-d]imidazole;glu-p-2;2-aminodipyrido(1,2-a:3',2'-d)imidazole;glu-p-2\"\"\";imidazo[1,2-a:5,4-b']dipyridin-2-amine","c12c(ccc(N)n1)N=C1C=CC=CN21","Positive",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Imidazole, benzimidazole (Nongenotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity","No alert found","Heterocyclic Polycyclic Aromatic Hydrocarbons|Primary aromatic amine,hydroxyl amine and its derived esters","H-acceptor-path3-H-acceptor|Heterocyclic Polycyclic Aromatic Hydrocarbons|Primary aromatic amine, hydroxyl amine and its derived esters"]
["67730-10-3","2-aminodipyrido[1,2-a:3',2'-d]imidazole;glu-p-2;2-aminodipyrido(1,2-a:3',2'-d)imidazole;glu-p-2\"\"\";imidazo[1,2-a:5,4-b']dipyridin-2-amine","c12c(ccc(N)n1)N=C1C=CC=CN21","Negative",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system hamster","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Imidazole, benzimidazole (Nongenotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity","No alert found","Heterocyclic Polycyclic Aromatic Hydrocarbons|Primary aromatic amine,hydroxyl amine and its derived esters","H-acceptor-path3-H-acceptor|Heterocyclic Polycyclic Aromatic Hydrocarbons|Primary aromatic amine, hydroxyl amine and its derived esters"]
["556-52-5","glycidol;2-oxiranemethanol;oxiranemethanol;2,3-epoxypropan-1-ol;1-propanol, 2,3-epoxy-;oxiran-2-ylmethanol;2,3epoxypropan1ol(glycidol)","C1(CO)CO1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines","SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides","Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines","Epoxides and aziridines","Epoxides and aziridines|H-acceptor-path3-H-acceptor"]
["126-07-8","griseofulvin;spiro[benzofuran-2(3h),1’-[2]cyclohexene]-3,4’-dione, 7-chloro-2’,4,6-trimethoxy-6’-methyl-, (1’s-trans)-;(2s,6'r)-7-chloro-2',4,6-trimethoxy-6'-methyl-3h,4'h-spiro[1-benzofuran-2,1'-cyclohex[2]ene]-3,4'-dione;spiro[benzofuran-2(3h),1'-[2]cyclohexene]-3,4'-dione, 7-chloro-2',4,6-trimethoxy-6'-methyl-, (1's-trans)-;spiro(benzofuran-2(3h),1'-(2)cyclohexene)-3,4'-dione, 7-chloro-2',4,6-trimethoxy-6'-methyl-, (1's-trans)-","C1(OC)C2(C(=O)c3c(c(Cl)c(OC)cc3OC)O2)C(C)CC(=O)C=1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","No alert found","alpha,beta-unsaturated carbonyls (Genotox)|Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity|Structural alerts for both genotoxic and nongenotoxic carcinogenicity","No alert found","alpha,beta-unsaturated carbonyls","1,3-dialkoxy-benzene|alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor"]
["76-44-8","heptachlor;1,4,5,6,7,8,8-heptachloro-3a,4,7,7a-tetrahydro-1h-4,7-methanoindene;4,7-methano-1h-indene, 1,4,5,6,7,8,8-heptachloro-3a,4,7,7a-tetrahydro-;1,4,5,6,7,8,8-heptachloro-3a,4,7,7a-tetrahydro-4,7-methano-1h-indene;heptachlor (cancelled in u.s.)","C12(Cl)C(Cl)(Cl)C(Cl)(C(Cl)=C1Cl)C1C(Cl)C=CC21","Positive",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation >> Vicinal Dihaloalkanes|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives","SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides","(Poly) Halogenated Cycloalkanes (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives","No alert found","No alert found"]
["118-74-1","benzene, 1,2,3,4,5,6-hexachloro-;hexachlorobenzene;benzene hexachloride;hexa-chlorobenzene;benzene, hexachloro-;hexachlorobenzene (hcb);hexachlorobenzene (hcb) sanocide seed protect;118-74-1","c1(Cl)c(Cl)c(Cl)c(Cl)c(Cl)c1Cl","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["118-74-1","benzene, 1,2,3,4,5,6-hexachloro-;hexachlorobenzene;benzene hexachloride;hexa-chlorobenzene;benzene, hexachloro-;hexachlorobenzene (hcb);hexachlorobenzene (hcb) sanocide seed protect;118-74-1","c1(Cl)c(Cl)c(Cl)c(Cl)c(Cl)c1Cl","Negative",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["319-84-6","alpha-hexachlorocyclohexane;alpha-1,2,3,4,5,6-hexachlorocyclohexane;(1 alpha,2 alpha,3 beta,4 alpha,5 beta,6 beta)1,2,3,4,5,6-hexachlorocyclohexane;a-hch;alpha-bhc;(1a,2a,3b,4a,5a,6b)-1,2,3,4,5,6-hexachlorocyclohexane;cyclohexane, 1,2,3,4,5,6-hexachloro-, (1.alpha.,2.alpha.,3.beta.,4.alpha.,5.beta.,6.beta.)-;cyclohexane, 1,2,3,4,5,6-hexachloro-, .alph;(1±,2±,3?,4±,5?,6?)-1,2,3,4,5,6-hexachlorocyclohexane;(1?,2?,3?,4?,5?,6?)-1,2,3,4,5,6-hexachlorocyclohexane;(1r,2r,3s,4s,5s,6s)-1,2,3,4,5,6-hexachlorocyclohexane;(1r,2r,3r,4r,5s,6s)-1,2,3,4,5,6-hexachlorocyclohexane;alpha-hch;cyclohexane, 1,2,3,4,5,6-hexachloro-, (1alpha,2alpha,3beta,4alpha,5beta,6beta)-;319-84-6","C1(Cl)C(Cl)C(Cl)C(Cl)C(Cl)C1Cl","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"SN2|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation >> Vicinal Dihaloalkanes","SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> 1,2-Dihaloalkanes","(Poly) Halogenated Cycloalkanes (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","No alert found"]
["319-84-6","alpha-hexachlorocyclohexane;alpha-1,2,3,4,5,6-hexachlorocyclohexane;(1 alpha,2 alpha,3 beta,4 alpha,5 beta,6 beta)1,2,3,4,5,6-hexachlorocyclohexane;a-hch;alpha-bhc;(1a,2a,3b,4a,5a,6b)-1,2,3,4,5,6-hexachlorocyclohexane;cyclohexane, 1,2,3,4,5,6-hexachloro-, (1.alpha.,2.alpha.,3.beta.,4.alpha.,5.beta.,6.beta.)-;cyclohexane, 1,2,3,4,5,6-hexachloro-, .alph;(1±,2±,3?,4±,5?,6?)-1,2,3,4,5,6-hexachlorocyclohexane;(1?,2?,3?,4?,5?,6?)-1,2,3,4,5,6-hexachlorocyclohexane;(1r,2r,3s,4s,5s,6s)-1,2,3,4,5,6-hexachlorocyclohexane;(1r,2r,3r,4r,5s,6s)-1,2,3,4,5,6-hexachlorocyclohexane;alpha-hch;cyclohexane, 1,2,3,4,5,6-hexachloro-, (1alpha,2alpha,3beta,4alpha,5beta,6beta)-;319-84-6","C1(Cl)C(Cl)C(Cl)C(Cl)C(Cl)C1Cl","Negative",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system hamster","SN2|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation >> Vicinal Dihaloalkanes","SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> 1,2-Dihaloalkanes","(Poly) Halogenated Cycloalkanes (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","No alert found"]
["136-77-6","4-hexylresorcinol;hexylresorcinol, 4-;1,3-benzenediol, 4-hexyl-;4-hexylbenzene-1,3-diol;4-hexyl-1,3-benzenediol","c1(CCCCCC)c(O)cc(O)cc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Alkyl phenols","No alert found","No alert found","No alert found","No alert found"]
["58-93-5","hydrochlorothiazide;6-chloro-1,1-dioxo-1,2,3,4-tetrahydro-1$l%6&-benzo[1,2,4]thiadiazine-7-sulfonic acid amide;2h-1,2,4-benzothiadiazine-7-sulfonamide, 6-chloro-3,4-dihydro-, 1,1-dioxide;6-chloro-3,4-dihydro-2h-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide","c1(Cl)c(S(N)(=O)=O)cc2c(c1)NCNS2(=O)=O","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Secondary aromatic amine","Benzenesulfonic ethers, methylation (Nongenotox)|Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["58-93-5","hydrochlorothiazide;6-chloro-1,1-dioxo-1,2,3,4-tetrahydro-1$l%6&-benzo[1,2,4]thiadiazine-7-sulfonic acid amide;2h-1,2,4-benzothiadiazine-7-sulfonamide, 6-chloro-3,4-dihydro-, 1,1-dioxide;6-chloro-3,4-dihydro-2h-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide","c1(Cl)c(S(N)(=O)=O)cc2c(c1)NCNS2(=O)=O","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Secondary aromatic amine","Benzenesulfonic ethers, methylation (Nongenotox)|Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["123-31-9","hydroquinone (1,4-dihydroxybenzene);hydroquinone;benzene-1,4-diol;1,4-benzenediol;hydrquinone;1,4-dihydroquinone;quinol","c1(O)ccc(O)cc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones","No alert found","No alert found","No alert found","No alert found"]
["148-24-3","8-quinolinol;oxyquinoline [usan];8-hydroxyquinoline;quinolin-8-ol;hydroxyquinoline, 8-;hydroxy8quinolineanditssulphate,except fortheuses providedfor inno51inannex iii;148-24-3","c1(O)c2c(cccn2)ccc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["5634-39-9","iodinated glycerol;glycerol, iodinated [usan:ban];2-(1-iodoethyl)-1,3-dioxolan-4-ylmethanol;1,3-dioxolane-4-methanol, 2-(1-iodoethyl)-\"\"\"","C1(CCI)OC(CO)CO1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Moderate Quality, Conflict","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides","Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Aliphatic halogens","Aliphatic halogen|H-acceptor-path3-H-acceptor"]
["54-85-3","isoniazid;isonicotinic acid hydrazide;4-pyridinecarboxylic acid, hydrazide;isonicotinic acid hydrazide\"\"\";4-hydrazinocarbonylpyridine;pyridine-4-carbohydrazide;hydrazidesandtheirsaltse.g.isoniazid(inn);4-pyridine carboxylic acid, hydrazide;isonicotinohydrazide;isonicotinic acid hydrazide\"","C(=O)(c1ccncc1)NN","Negative",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","Nucleophilic addition|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization >> Hydrazine Derivatives|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Hydrazine Derivatives","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Hydrazine","Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Hydrazine","H-acceptor-path3-H-acceptor|Hydrazine"]
["78-59-1","2-cyclohexen-1-one, 3,5,5-trimethyl-;isophorone;isophorene;3,5,5-trimethylcyclohex-2-enone (isophorone);3,5,5-trimethylcyclohex-2-enone;3,5,5-trimethylcyclohex-2-en-1-one;3,5,5trimethylcyclohex2enone (isophorone);3,5,5-trimethyl-2-cyclohexene-1-one;1,5,5-trimethyl-1-cyclohexen-3-one;3,5,5-trimethyl-2-cyclohexen-1-one","C1(=O)C=C(C)CC(C)(C)C1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","No alert found","alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","alpha,beta-unsaturated carbonyls","alpha,beta-unsaturated carbonyls"]
["101-73-5","p-isopropoxydiphenylamine;4-isopropoxydiphenylamine;4-isopropoxy-n-phenylaniline;benzenamine, 4-(1-methylethoxy)-n-phenyl-;diphenylamine, 4-isopropoxy-;n-phenyl-4-(propan-2-yloxy)aniline;4-[(1-methylethyl)oxy]-n-phenylaniline","c1(OC(C)C)ccc(Nc2ccccc2)cc1","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["101-21-3","chlorpropham;isopropyl-n-(3-chlorophenyl) carbamate;isopropyl n-(3-chlorophenyl) carbamate;chloropham;chloropham\"\"\";propan-2-yl (3-chlorophenyl)carbamate;carbamic acid, (3-chlorophenyl)-, 1-methylethyl ester;(3-chlorophenyl)carbamic acid, 1-methylethyl ester;chlorpropham/napthalam (alanap plus);1-methylethyl (3-chlorophenyl)carbamate;chloropropham;chloropham\";carbamic acid, (3-chlorophenyl)-, 1-methylethyl ester (9ci);101-21-3","c1(Cl)cc(NC(=O)OC(C)C)ccc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","No alert found","Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["143-50-0","kepone;chlordecone;1,1a,3,3a,4,5,5,5a,5b,6-decachlorooctahydro-2h-1,3,4-(methanetriyl)cyclobuta[cd]pentalen-2-one;1,3,4-metheno-2h-cyclobuta[cd]pentalen-2-one, 1,1a,3,3a,4,5,5a,5b,6-decachlorooctahydro-;1,1a,3,3a,4,5,5,5a,5b,6-decachlorooctahydro-1,3,4-metheno-2h-cyclobuta[cd]pentalen-2-one;kepone (cancelled in u.s.);1,3,4-metheno-2h-cyclobuta(cd)pentalen-2-one, 1,1a,3,3a,4,5,5,5a,5b,6-decachlorooctahydro-","C12(Cl)C3(Cl)C4(Cl)C(Cl)(Cl)C5(Cl)C(Cl)(C(Cl)(C35Cl)C1=O)C24Cl","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","SN2|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation >> Vicinal Dihaloalkanes","No alert found","(Poly) Halogenated Cycloalkanes (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","No alert found"]
["69-65-8","d-mannitol;(2r,3r,4r,5r)-hexane-1,2,3,4,5,6-hexaol;mannitol;mannitol, d-;cordycepic acid;mannitol [usan];69-65-8;<small>d</small>-form","C(O)(C(O)C(O)C(O)CO)CO","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","N/A","YES","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["69-65-8","d-mannitol;(2r,3r,4r,5r)-hexane-1,2,3,4,5,6-hexaol;mannitol;mannitol, d-;cordycepic acid;mannitol [usan];69-65-8;<small>d</small>-form","C(O)(C(O)C(O)C(O)CO)CO","Negative",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","N/A","YES","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["108-78-1","1,3,5-triazine-2,4,6-triamine;2,4,6-triamino-1,3,5-triazine;melamine;[1,3,5]triazine-2,4,6-triamine;s-triazine, 4,6-diamino-1,2-dihydro-2-imino-","c1(N)nc(N)nc(N)n1","Negative",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","No alert found","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Primary aromatic amine,hydroxyl amine and its derived esters","Primary aromatic amine, hydroxyl amine and its derived esters"]
["59-05-2","methotrexate;l-glutamic acid, n-[4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-;n-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}phenyl)carbonyl]-l-glutamic acid;methotrexate(inn);n-[4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-l-glutamic acid;methotrexate [usan:ban:inn:jan];glutamic acid, n-(p-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-, l-;59-05-2","C(=O)(c1ccc(N(C)Cc2cnc3c(c(N)nc(N)n3)n2)cc1)NC(C(=O)O)CCC(=O)O","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","Primary aromatic amine,hydroxyl amine and its derived esters","H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters"]
["72-43-5","1,1'-(2,2,2-trichloroethylidene)bis[4-methoxybenzene];methoxychlor;methoxychlor, p,p'-;benzene, 1,1-(2,2,2-trichloroethylidene)bis[4-methoxy-;benzene, 1,1’-(2,2,2-trichloroethylidene)bis[4-methoxy-;1,1'-(2,2,2-trichloroethane-1,1-diyl)bis(4-methoxybenzene);benzene, 1,1'-(2,2,2-trichloroethylidene)bis[4-methoxy-;methoxychlor /potassium oleate-mis-16);methoxychlor/k-salt fatty acid mis 16 formula;1,1'-(2,2,2-trichloroethane-1,1-diyl)bis[4-(methyloxy)benzene];p,p'-methoxychlor;benzene, 1,1'-(2,2,2-trichloroethylidene)bis(4-methoxy- (9ci);72-43-5","C(Cl)(Cl)(Cl)C(c1ccc(OC)cc1)c1ccc(OC)cc1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes","No alert found","Alkyl halides (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes","No alert found","No alert found"]
["72-43-5","1,1'-(2,2,2-trichloroethylidene)bis[4-methoxybenzene];methoxychlor;methoxychlor, p,p'-;benzene, 1,1-(2,2,2-trichloroethylidene)bis[4-methoxy-;benzene, 1,1’-(2,2,2-trichloroethylidene)bis[4-methoxy-;1,1'-(2,2,2-trichloroethane-1,1-diyl)bis(4-methoxybenzene);benzene, 1,1'-(2,2,2-trichloroethylidene)bis[4-methoxy-;methoxychlor /potassium oleate-mis-16);methoxychlor/k-salt fatty acid mis 16 formula;1,1'-(2,2,2-trichloroethane-1,1-diyl)bis[4-(methyloxy)benzene];p,p'-methoxychlor;benzene, 1,1'-(2,2,2-trichloroethylidene)bis(4-methoxy- (9ci);72-43-5","C(Cl)(Cl)(Cl)C(c1ccc(OC)cc1)c1ccc(OC)cc1","Negative",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes","No alert found","Alkyl halides (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes","No alert found","No alert found"]
["598-55-0","methyl carbamate;o-methyl carbamate;n-methylcarbamate;carbamic acid, methyl ester;methylcarbamate (methyl urethane);598-55-0","C(N)(=O)OC","Negative",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","No alert found","Alkyl carbamate and thiocarbamate (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Alkyl carbamate and thiocarbamate","Alkyl carbamate and thiocarbamate|H-acceptor-path3-H-acceptor"]
["80-62-6","methyl methacrylate;methyl meth acrylate;2-propenoic acid, 2-methyl-, methyl ester;methacrylic acid methyl ester;methacrylic acid, methyl ester;2-methyl-2-propenoic acid, methyl ester","C(=O)(C(=C)C)OC","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated esters","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["66-27-3","methyl methanesulfonate;methanesulfonic acid;methyl methane sulfonate;methyl methane sulfonate (mms);methyl methanesulphonate;methanesulfonic acid, methyl ester;methanesulfonic acid methyl ester;methylmethanesulfonate;66-27-3;me ester","COS(C)(=O)=O","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Sulfonates and Sulfates","SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Sulfonates","Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid (Genotox)|Structural alert for genotoxic carcinogenicity","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Sulfonates and Sulfates","Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid","Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid|H-acceptor-path3-H-acceptor"]
["66-27-3","methyl methanesulfonate;methanesulfonic acid;methyl methane sulfonate;methyl methane sulfonate (mms);methyl methanesulphonate;methanesulfonic acid, methyl ester;methanesulfonic acid methyl ester;methylmethanesulfonate;66-27-3;me ester","COS(C)(=O)=O","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Sulfonates and Sulfates","SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Sulfonates","Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid (Genotox)|Structural alert for genotoxic carcinogenicity","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Sulfonates and Sulfates","Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid","Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid|H-acceptor-path3-H-acceptor"]
["98-85-1","(sec)phenethyl alcohol;alpha-methylbenzyl alcohol;1-phenylethanol;sec-phenethyl alcohol;benzenemethanol, ?-methyl-;benzenemethanol, .alpha.-methyl-;methylphenyl carbinol;a-methylbenzyl alcohol;(1)-alpha-methylbenzyl alcohol;(?)-form","c1(C(C)O)ccccc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes","No alert found","No alert found","No alert found","No alert found"]
["41372-08-1","2-methyl-3-(3,4-dihydroxyphenyl)-l-alanine;l-tyrosine, 3-hydroxy-±-methyl-, hydrate (2:3);l-tyrosine, 3-hydroxy-?-methyl-, hydrate (2:3);l-tyrosine, 3-hydroxy-.alpha.-methyl-, sesquihydrate;3-hydroxy-alpha-methyl-l-tyrosine trihydrate","C(=O)(O)C(C)(N)Cc1cc(O)c(O)cc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality, Conflict","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Alkyl phenols|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["101-61-1","benzenamine, 4,4'-methylenebis[n,n-dimethyl-;4,4'-methylenebis(n,n-dimethylbenzenamine);4,4'-methylenebis(n,n-dimethyl)benzenamine;4,4'-methylenebis(n,n-dimethylaniline);bis(4-dimethylaminophenyl)methane;4,4'-methylene bis(n,n'-dimethylaniline);4,4’-methylene bis-(n,n’­dimethylaniline) [bis(p­dimethylamino)diphenylmethane];4,4'-methylenebis[n,n-dimethyl]aniline;benzenamine, 4,4'-methylenebis n,n-dimethyl-;aniline, 4,4'-methylenebisÕn,n-dimethyl-;benzenamine, 4,4'-methylenebisÕn,n-dimethyl-\"\"\";n,n,n',n'-tetramethyl-4,4'-methylenedianiline;benzenamine, 4,4’-methylenebis[n,n-dimethyl-;aniline, 4,4'-methylenebisХn,n-dimethyl-;benzenamine, 4,4'-methylenebisХn,n-dimethyl-;n,n,n?,n?tetramethyl4,4?methylenedianiline;4,4´-methylenebis(n,n-dimethylaniline)","c1(N(C)C)ccc(Cc2ccc(N(C)C)cc2)cc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine","Aromatic mono-and dialkylamine (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Aromatic mono-and dialkylamine","Aromatic mono- and dialkylamine"]
["90-94-8","methanone, bis[4-(dimethylamino)phenyl]-;michler's ketone;4,4-bis(dimethylamino)benzophenone;michler’s ketone, [4,4’bis­(dimethylamino)benzophenone];bis-(4-dimethylamino-phenyl)-methanone;4,4'-bis(dimethylamino)benzophenone;benzophenone, 4,4'-bis(dimethylamino)-;methanone, bisХ4-(dimethylamino)phenylе-;methanone, bis 4-(dimethylamino)phenyl -;bis[4-(dimethylamino)phenyl]methanone;4,4?bis(dimethylamino)benzophenone (michler'sketone);methanone, bis(4-(dimethylamino)phenyl)-","c1(C(=O)c2ccc(N(C)C)cc2)ccc(N(C)C)cc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine","Aromatic mono-and dialkylamine (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Aromatic mono-and dialkylamine","Aromatic mono- and dialkylamine"]
["142-47-2","l-monosodium glutamate;l-glutamic acid, monosodium salt;sodium (2s)-2-amino-4-carboxybutanoate","C(=O)(O)C(N)CCC(=O)O","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality, Conflict","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["1465-25-4","n-(1-naphthyl)ethylenediamine.2hcl;n-(1-napthyl)ethylene diamine dihydrochloride;1,2-ethanediamine, n-1-naphthalenyl-, dihydrochloride;n-naphthalen-1-ylethane-1,2-diamine dihydrochloride","c1(NCCN)c2c(cccc2)ccc1","Negative",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Moderate Quality, Conflict","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Secondary aromatic amine","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["93-46-9","1,4-benzenediamine, n1,n4-di-2-naphthalenyl-;n,n'-di-2-naphthyl-p-phenylenediamine;n,n-di-2-naphthyl-p-phenylenediamine;sym.-dibeta-naphthyl-p-phenylenediamine;diafen nn;1,4-benzenediamine, n,n’-di-2-naphthalenyl-;1,4-benzenediamine, n,n'-di-2-naphthalenyl-;n,n'-di-2-naphthalenyl-1,4-benzenediamine;p-phenylenediamine, n,n'-di-2-naphthyl-;n,n'-di(naphthalen-2-yl)benzene-1,4-diamine;n,n'-dinaphthalen-2-ylbenzene-1,4-diamine","c12c(cc(Nc3ccc(Nc4cc5c(cccc5)cc4)cc3)cc1)cccc2","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["91-59-8","2-naphthylamine;2-naphthalenamine;2-amino-naphthalene;naphthalen-2-amine;1and2naphthylaminesandtheirsalts","c12c(cc(N)cc1)cccc2","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","Primary aromatic amine,hydroxyl amine and its derived esters","Primary aromatic amine, hydroxyl amine and its derived esters"]
["139-13-9","glycine, n,n-bis(carboxymethyl)-;nitrilotriacetic acid;(bis-carboxymethyl-amino)-acetic acid;triglycollamic acid;acetic acid, nitrilotri-\"\"\";nitriloacetic acid;2,2',2''-nitrilotriacetic acid;acetic acid, nitrilotri-\";139-13-9","C(=O)(O)CN(CC(=O)O)CC(=O)O","Negative",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["59-87-0","nitrofurazone;5-nitro-2-furaldehyde semicarbazone;nitrofural;hydrazinecarboxamide, 2-[(5-nitro-2-furanyl)methylene]-;(2e)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinecarboxamide;2-((5-nitro-2-furanyl)methylene)hydrazine carboxamide;5-nitrofuran-2-carbaldehyde semicarbazone;hydrazinecarboxamide, 2-((5-nitro-2-furanyl)methylene)-;59-87-0","C1(C=NNC(N)=O)=CC=C(N(=O)=O)O1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Unsaturated heterocyclic nitro","Hydrazine (Genotox)|Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","Hydrazine|Nitro-aromatic","H-acceptor-path3-H-acceptor|Hydrazine|Nitro-aromatic"]
["59-87-0","nitrofurazone;5-nitro-2-furaldehyde semicarbazone;nitrofural;hydrazinecarboxamide, 2-[(5-nitro-2-furanyl)methylene]-;(2e)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinecarboxamide;2-((5-nitro-2-furanyl)methylene)hydrazine carboxamide;5-nitrofuran-2-carbaldehyde semicarbazone;hydrazinecarboxamide, 2-((5-nitro-2-furanyl)methylene)-;59-87-0","C1(C=NNC(N)=O)=CC=C(N(=O)=O)O1","Positive",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Unsaturated heterocyclic nitro","Hydrazine (Genotox)|Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","Hydrazine|Nitro-aromatic","H-acceptor-path3-H-acceptor|Hydrazine|Nitro-aromatic"]
["5307-14-2","2-nitro-p-phenylenediamine;2-nitro-1,4-phenylenediamine;1,4-benzenediamine, 2-nitro-;2-nitro-4-phenylenediamine;2-nitro-p-phenylenediamine [2-nitro-1,4-phenylenediamine];nitro-p-phenylenediamine, 2-;p-phenylenediamine, 2-nitro-;2-nitrobenzene-1,4-diamine;2nitropphenylenediamine anditssalts,whenusedas asubstanceinhairdye products;2-nitro-1,4-phenylendiamine;2-nitro-1,4-phenylene diamine","c1(N)c(N(=O)=O)cc(N)cc1","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN1 >> Nitrenium ion formation >> Nitro Compounds","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Nitro-aromatic (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","Nitro-aromatic|Primary aromatic amine,hydroxyl amine and its derived esters","H-acceptor-path3-H-acceptor|Nitro-aromatic|Primary aromatic amine, hydroxyl amine and its derived esters"]
["5307-14-2","2-nitro-p-phenylenediamine;2-nitro-1,4-phenylenediamine;1,4-benzenediamine, 2-nitro-;2-nitro-4-phenylenediamine;2-nitro-p-phenylenediamine [2-nitro-1,4-phenylenediamine];nitro-p-phenylenediamine, 2-;p-phenylenediamine, 2-nitro-;2-nitrobenzene-1,4-diamine;2nitropphenylenediamine anditssalts,whenusedas asubstanceinhairdye products;2-nitro-1,4-phenylendiamine;2-nitro-1,4-phenylene diamine","c1(N)c(N(=O)=O)cc(N)cc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN1 >> Nitrenium ion formation >> Nitro Compounds","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Nitro-aromatic (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","Nitro-aromatic|Primary aromatic amine,hydroxyl amine and its derived esters","H-acceptor-path3-H-acceptor|Nitro-aromatic|Primary aromatic amine, hydroxyl amine and its derived esters"]
["99-56-9","4-nitro-o-phenylenediamine;4-nitro-benzene-1,2-diamine;4-nitro-orto-phenylenediamine;2-amino-4-nitroaniline;1,2-diamino-4-nitrobenzene;4-nitro-o-phenylenediamine 4-nitro-1,2-benzenediamine;1,2-benzenediamine, 4-nitro-;o-phenylenediamine, 4-nitro-;4-nitrobenzene-1,2-diamine","c1(N)c(N)cc(N(=O)=O)cc1","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN1 >> Nitrenium ion formation >> Nitro Compounds","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Nitro-aromatic (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","Nitro-aromatic|Primary aromatic amine,hydroxyl amine and its derived esters","H-acceptor-path3-H-acceptor|Nitro-aromatic|Primary aromatic amine, hydroxyl amine and its derived esters"]
["91-23-6","benzene, 1-methoxy-2-nitro-;o-nitroanizole;nitroanisole, 2-;o-nitroanisole;2-nitroanisole;ortho-nitroanisole;2-nitroanisole\"\";2-nitroanisole\";anisole, o-nitro-;1-methoxy-2-nitrobenzene;2nitroanisole;91-23-6","c1(OC)c(N(=O)=O)cccc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro","Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Nitro-aromatic","H-acceptor-path3-H-acceptor|Nitro-aromatic"]
["619-17-0","4-nitroanthranilic acid;2-amino-4-nitrobenzoic acid;nitroanthranilic acid, 4-;benzoic acid, 2-amino-4-nitro-","C(=O)(O)c1c(N)cc(N(=O)=O)cc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN1 >> Nitrenium ion formation >> Nitro Compounds","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro","Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","Nitro-aromatic","H-acceptor-path3-H-acceptor|Nitro-aromatic"]
["98-95-3","benzene, nitro-;nitrobenzene;nitro-benzene;98-95-3","c1(N(=O)=O)ccccc1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro","Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Nitro-aromatic","Nitro-aromatic"]
["98-95-3","benzene, nitro-;nitrobenzene;nitro-benzene;98-95-3","c1(N(=O)=O)ccccc1","Negative",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro","Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Nitro-aromatic","Nitro-aromatic"]
["1836-75-5","benzene, 2,4-dichloro-1-(4-nitrophenoxy)-;nitrofen;ether, 2,4-dichlorophenyl p-nitrophenyl;2,4-dichloro-1-(4-nitrophenoxy)benzene;2,4-dichloro-1-[(4-nitrophenyl)oxy]benzene;nitrofen (nip);1836-75-5","c1(Oc2ccc(N(=O)=O)cc2)c(Cl)cc(Cl)cc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro","Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","Nitro-aromatic","1-phenoxy-benzene|Nitro-aromatic"]
["67-20-9","nitrofurantoin;1-[(5-nitrofurfurylidene)amino]hydantoin;2,4-imidazolidinedione, 1-[[(5-nitro-2-furanyl)methylene]amino]-;1-{[(e)-(5-nitrofuran-2-yl)methylidene]amino}imidazolidine-2,4-dione;nitrofurantoin(inn);1-[[(5-nitro-2-furanyl)methylene]amino]-2,4-imidazolidinedione;1-{[(1e)-(5-nitrofuran-2-yl)methylidene]amino}imidazolidine-2,4-dione;2,4-imidazolidenedione, 1-(((5-nitro-2-furanyl)methylene)amino)-","C1(C=NN2C(=O)NC(=O)C2)=CC=C(N(=O)=O)O1","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Unsaturated heterocyclic nitro","Hydrazine (Genotox)|Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","Hydrazine|Nitro-aromatic","H-acceptor-path3-H-acceptor|Hydrazine|Nitro-aromatic"]
["67-20-9","nitrofurantoin;1-[(5-nitrofurfurylidene)amino]hydantoin;2,4-imidazolidinedione, 1-[[(5-nitro-2-furanyl)methylene]amino]-;1-{[(e)-(5-nitrofuran-2-yl)methylidene]amino}imidazolidine-2,4-dione;nitrofurantoin(inn);1-[[(5-nitro-2-furanyl)methylene]amino]-2,4-imidazolidinedione;1-{[(1e)-(5-nitrofuran-2-yl)methylidene]amino}imidazolidine-2,4-dione;2,4-imidazolidenedione, 1-(((5-nitro-2-furanyl)methylene)amino)-","C1(C=NN2C(=O)NC(=O)C2)=CC=C(N(=O)=O)O1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Unsaturated heterocyclic nitro","Hydrazine (Genotox)|Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","Hydrazine|Nitro-aromatic","H-acceptor-path3-H-acceptor|Hydrazine|Nitro-aromatic"]
["504-88-1","3-nitropropionic acid;3-nitro-propenoic acid;3-nitropropionic acid (3-npa);3-nitropropanoic acid;propanoic acid, 3-nitro- (9ci)","C(=O)(O)CCN(=O)=O","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["684-93-5","n-methyl-n-nitrosourea;n-nitroso-n-methylurea;1-nitroso-1-methylurea;methylnitrosourea;n-nitroso-n-methylurea [n-methyl-n-nitrosourea (mnu)];1-methyl-1-nitrosourea;n-methyl-n-nitrosourea (nmu);urea, n-methyl-n-nitroso-;urea, 1-methyl-1-nitroso-;nmh;urea, 1-methyl-1-nitroso- (8ci);684-93-5","C(N)(=O)N(C)N=O","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2","Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives","Alkyl and aryl N-nitroso groups","Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor"]
["684-93-5","n-methyl-n-nitrosourea;n-nitroso-n-methylurea;1-nitroso-1-methylurea;methylnitrosourea;n-nitroso-n-methylurea [n-methyl-n-nitrosourea (mnu)];1-methyl-1-nitrosourea;n-methyl-n-nitrosourea (nmu);urea, n-methyl-n-nitroso-;urea, 1-methyl-1-nitroso-;nmh;urea, 1-methyl-1-nitroso- (8ci);684-93-5","C(N)(=O)N(C)N=O","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2","Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives","Alkyl and aryl N-nitroso groups","Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor"]
["924-16-3","n,n-dibutylnitrosamine;nitrosodibutylamine;n-nitrosodibutylamine;dibutylnitrosamine;1-butanamine, n-butyl-n-nitroso-;n-butyl-n-nitrosobutan-1-amine;n-butyl-n-nitroso-1-butanamine","C(CCC)N(CCCC)N=O","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2","Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","Alkyl and aryl N-nitroso groups","Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor"]
["924-16-3","n,n-dibutylnitrosamine;nitrosodibutylamine;n-nitrosodibutylamine;dibutylnitrosamine;1-butanamine, n-butyl-n-nitroso-;n-butyl-n-nitrosobutan-1-amine;n-butyl-n-nitroso-1-butanamine","C(CCC)N(CCCC)N=O","Negative",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system hamster","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2","Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","Alkyl and aryl N-nitroso groups","Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor"]
["62-75-9","n,n-dimethylnitrosamine;n-nitrosodimethylamine;dimethylnitrosamine;n-nitrosodimethylamine [dimethyl nitrosamine];n-nitrosodimethylamine (n-methyl-n-nitrosomethanamine);nitrosodipropylamine;dimethylnitrosoamine;dimethylnitrosamine (dmn);methanamine, n-methyl-n-nitroso-;n-methyl-n-nitrosomethanamine;nitrosaminese.g.dimethylnitrosoamine;2,2'nitrosoimino)bisethanol;62-75-9","CN(C)N=O","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2","Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","Alkyl and aryl N-nitroso groups","Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor"]
["156-10-5","p-nitrosodiphenylamine;4-nitrosodiphenylamine;4-nitroso-n-phenylbenzenamine;4-nitroso-n-phenylaniline;benzenamine, 4-nitroso-n-phenyl-","c1(Nc2ccccc2)ccc(N=O)cc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitroso","Aromatic nitroso group (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","Aromatic nitroso group","Aromatic nitroso group  |H-acceptor-path3-H-acceptor"]
["100-75-4","piperidine;n-nitrosopiperidine;1-nitrosopiperidine;piperidine, 1-nitroso-;100-75-4;<i>n</i>-nitroso","C1CCCCN1N=O","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2","Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","Alkyl and aryl N-nitroso groups","Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor"]
["930-55-2","pyrrolidine;n-nitrosopyrrolidine;1-nitrosopyrrolidine;pyrrolidine, 1-nitroso-;930-55-2;<i>n</i>-nitroso","C1CCCN1N=O","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2","Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","Alkyl and aryl N-nitroso groups","Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor"]
["1936-15-8","acid orange 10;1,3-naphthalenedisulfonic acid, 7-hydroxy-8-(phenylazo)-, disodium salt;disodium 7-hydroxy-8-[(z)-phenyldiazenyl]naphthalene-1,3-disulfonate","c1(O)c(N=Nc2ccccc2)c2c(S(=O)(=O)O)cc(S(=O)(=O)O)cc2cc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality, Conflict","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic azo","Aromatic diazo (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Aromatic diazo","Aromatic diazo|H-acceptor-path3-H-acceptor"]
["604-75-1","oxazepam;2h-1,4-benzodiazepin-2-one, 7-chloro-1,3-dihydro-3-hydroxy-5-phenyl-;oxazepam [usan:ban:inn:jan];7-chloro-3-hydroxy-5-phenyl-1,3-dihydro-2h-1,4-benzodiazepin-2-one","c1(C2c3c(ccc(Cl)c3)NC(=O)C(O)N=2)ccccc1","Negative",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","No alert found","Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["101-80-4","4,4'-oxydianiline;4-aminophenyl ether;4,4'-diaminodiphenyl ether;4,4’-oxydianiline;benzenamine, 4,4'-oxybis-;aniline, 4,4'-oxydi-;4,4?oxydianiline(paminophenyl ether) anditssalts;4,4´-diaminodiphenylether;101-80-4","c1(Oc2ccc(N)cc2)ccc(N)cc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Primary aromatic amine,hydroxyl amine and its derived esters","1-phenoxy-benzene|Primary aromatic amine, hydroxyl amine and its derived esters"]
["1825-21-4","pentachloroanisole;1,2,3,4,5-pentachloro-6-methoxybenzene;benzene, pentachloromethoxy- (9ci)","c1(Cl)c(Cl)c(Cl)c(Cl)c(Cl)c1OC","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","No alert found","Pentachloro phenol (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","No alert found"]
["76-01-7","pentachloroethane;ethane, pentachloro-;1,1,2,2,2-pentachloroethane;1,1,1,2,2-pentachloroethane;76-01-7","C(Cl)(Cl)(Cl)C(Cl)Cl","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation >> Vicinal Dihaloalkanes|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes","Acylation|Acylation >> P450 Mediated Activation to Acyl Halides|Acylation >> P450 Mediated Activation to Acyl Halides >> 1,1-Dihaloalkanes","Aliphatic halogens (Genotox)|Alkyl halides (Nongenotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes","Aliphatic halogens","Aliphatic halogen"]
["82-68-8","pentachloronitrobenzene;pcnb (pentachloronitrobenzene);quintozene;benzene, pentachloronitro-;1,2,3,4,5-pentachloro-6-nitrobenzene;pentachloronitrobenzene (pcnb);pentachloronitrobenzene/methyl mercury mix;pentachloronitrobenzene/zineb(granular form.);pentachloronitrobenzene/etridiazole(terrachlo;pentachloronitrobenzene (pcnb 2e formulation);pcnb/methyl mercury dicyandiamide mixture;pcnb [pentachloronitrobenzene];82-68-8","c1(Cl)c(Cl)c(Cl)c(Cl)c(Cl)c1N(=O)=O","Negative",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","No alert found","No alert found","No alert found","No alert found","No alert found"]
["50-06-6","phenobarbital;5-ethyl-5-phenyl-pyrimidine-2,4,6-trione;2,4,6(1h,3h,5h)-pyrimidinetrione, 5-ethyl-5-phenyl-;phenobarbital\"\"\";5-ethyl-5-phenylbarbituric acid;phenobarbital [usan:inn:jan];5-ethyl-5-phenylpyrimidine-2,4,6(1h,3h,5h)-trione;5-ethyl-5-phenyl-2,4,6(1h,3h,5h)-pyrimidinetrione;phenobarbital\"","C1(=O)C(c2ccccc2)(CC)C(=O)NC(=O)N1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["50-06-6","phenobarbital;5-ethyl-5-phenyl-pyrimidine-2,4,6-trione;2,4,6(1h,3h,5h)-pyrimidinetrione, 5-ethyl-5-phenyl-;phenobarbital\"\"\";5-ethyl-5-phenylbarbituric acid;phenobarbital [usan:inn:jan];5-ethyl-5-phenylpyrimidine-2,4,6(1h,3h,5h)-trione;5-ethyl-5-phenyl-2,4,6(1h,3h,5h)-pyrimidinetrione;phenobarbital\"","C1(=O)C(c2ccccc2)(CC)C(=O)NC(=O)N1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["108-95-2","phenol;phenol [jan];phenol, pure;108-95-2","c1(O)ccccc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["135-88-6","2-naphthalenamine, n-phenyl-;2-(n-phenylamino) naphthalene;n-phenyl-2-naphthylamine;phenyl-beta-naphthylamine;phenyl-2-naphthylamine, n-;n-2-naphthylaniline;2-naphthylamine, n-phenyl-;n-phenylnaphthalen-2-amine;n2naphthylaniline;2-(n-phenylamino)naphthalene;135-88-6;<i>n</i>-phenyl-2-naphthylamine","c12c(cc(Nc3ccccc3)cc1)cccc2","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["135-88-6","2-naphthalenamine, n-phenyl-;2-(n-phenylamino) naphthalene;n-phenyl-2-naphthylamine;phenyl-beta-naphthylamine;phenyl-2-naphthylamine, n-;n-2-naphthylaniline;2-naphthylamine, n-phenyl-;n-phenylnaphthalen-2-amine;n2naphthylaniline;2-(n-phenylamino)naphthalene;135-88-6;<i>n</i>-phenyl-2-naphthylamine","c12c(cc(Nc3ccccc3)cc1)cccc2","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["135-88-6","2-naphthalenamine, n-phenyl-;2-(n-phenylamino) naphthalene;n-phenyl-2-naphthylamine;phenyl-beta-naphthylamine;phenyl-2-naphthylamine, n-;n-2-naphthylaniline;2-naphthylamine, n-phenyl-;n-phenylnaphthalen-2-amine;n2naphthylaniline;2-(n-phenylamino)naphthalene;135-88-6;<i>n</i>-phenyl-2-naphthylamine","c12c(cc(Nc3ccccc3)cc1)cccc2","Positive",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["50-33-9","phenylbutazone;4-butyl-1,2-diphenyl-pyrazolidine-3,5-dione;3,5-pyrazolidinedione, 4-butyl-1,2-diphenyl-;4-butyl-1,2-diphenylpyrazolidine-3,5-dione;phenylbutazone(inn);4-butyl-1,2-diphenyl-3,5-pyrazolidinedione","C1(=O)C(CCCC)C(=O)N(c2ccccc2)N1c1ccccc1","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Hydrazine","H-acceptor-path3-H-acceptor|Hydrazine"]
["50-33-9","phenylbutazone;4-butyl-1,2-diphenyl-pyrazolidine-3,5-dione;3,5-pyrazolidinedione, 4-butyl-1,2-diphenyl-;4-butyl-1,2-diphenylpyrazolidine-3,5-dione;phenylbutazone(inn);4-butyl-1,2-diphenyl-3,5-pyrazolidinedione","C1(=O)C(CCCC)C(=O)N(c2ccccc2)N1c1ccccc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","No alert found","Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Hydrazine","H-acceptor-path3-H-acceptor|Hydrazine"]
["108-45-2","1,3-benzenediamine;1,3-phenylenediamine (3-aminoaniline);m-phenylenediamine;benzene-1,3-diamine;phenylenediamine, m-;3-amino-aniline;3-phenylenediamine;mphenylenediamine anditssalts;m-phenylenediamin","c1(N)cc(N)ccc1","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","Primary aromatic amine,hydroxyl amine and its derived esters","Primary aromatic amine, hydroxyl amine and its derived esters"]
["108-45-2","1,3-benzenediamine;1,3-phenylenediamine (3-aminoaniline);m-phenylenediamine;benzene-1,3-diamine;phenylenediamine, m-;3-amino-aniline;3-phenylenediamine;mphenylenediamine anditssalts;m-phenylenediamin","c1(N)cc(N)ccc1","Positive",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","Primary aromatic amine,hydroxyl amine and its derived esters","Primary aromatic amine, hydroxyl amine and its derived esters"]
["624-18-0","benzene-1,4-diamine;1,4-diaminobenzene dihydrochloride;benzene-1,4-diamine dihydrochloride;1,4-benzenediamine, dihydrochloride","c1(N)ccc(N)cc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Moderate Quality, Conflict","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","Primary aromatic amine,hydroxyl amine and its derived esters","Primary aromatic amine, hydroxyl amine and its derived esters"]
["90-43-7","2-phenylphenol;phenyl phenol, 2-;o-phenylphenol;biphenyl-2-ol;[1,1'-biphenyl]-2-ol;phenylphenol;1,1'-biphenyl-2-ol;1,1'-biphenyl -2-ol;2-biphenylol;Õ1,1'-biphenylå-2-ol\"\";Õ1,1'-biphenylå-2-ol\";2-hydroxybiphenyl;[1,1’-biphenyl]-2-ol;ortho-phenylphenol;Х1,1'-biphenylе-2-ol;ortho-phenyl phenol;sodium 2-phenylphenate;2-hydroxy biphenyl;Х1,1'-biphenylе-2-ol\";(1,1'-biphenyl)-2-ol","c1(-c2c(O)cccc2)ccccc1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","o-phenylphenol (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","No alert found"]
["90-43-7","2-phenylphenol;phenyl phenol, 2-;o-phenylphenol;biphenyl-2-ol;[1,1'-biphenyl]-2-ol;phenylphenol;1,1'-biphenyl-2-ol;1,1'-biphenyl -2-ol;2-biphenylol;Õ1,1'-biphenylå-2-ol\"\";Õ1,1'-biphenylå-2-ol\";2-hydroxybiphenyl;[1,1’-biphenyl]-2-ol;ortho-phenylphenol;Х1,1'-biphenylе-2-ol;ortho-phenyl phenol;sodium 2-phenylphenate;2-hydroxy biphenyl;Х1,1'-biphenylе-2-ol\";(1,1'-biphenyl)-2-ol","c1(-c2c(O)cccc2)ccccc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","No alert found","o-phenylphenol (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","No alert found"]
["17673-25-5","phorbol;5h-cyclopropa(3,4)benz(1,2-e)azulen-5-one, 1,1a-beta,1b-alpha,4,4a,7a-beta,7b,8,;phorbol\"\"\"","C1(C)C(=O)C2(O)C(C3(O)C(C)C(O)C4(O)C(C)(C)C4C3C=C(CO)C2)C=1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","alpha,beta-unsaturated carbonyls","alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor"]
["88-96-0","phthalamide;1,2-benzenedicarboxamide;benzene-1,2-dicarboxamide","C(N)(=O)c1c(C(N)=O)cccc1","Negative",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["85-44-9","phthalic anhydride;1,3-isobenzofurandione;2-benzofuran-1,3-dione","C1(=O)c2c(C(=O)O1)cccc2","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["51-03-6","toluene,;piperonyl butoxide;piperonyl butoxide in solvent;pyrenone 606;toluene, .alpha.-(2-(2-butoxyethoxy)ethoxy)-4,5-(methylenedioxy)-2-propyl-;1,3-benzodioxole, 5- 2-(2-butoxyethoxy)ethoxy methyl -6-propyl-;1,3-benzodioxole, 5-((2-(2-but;2-(2-butoxyethoxy)ethyl 6-propylpiperonyl ether;1,3-benzodioxole, 5-[[2-(2-butoxyethoxy)ethoxy]methyl]-6-propyl-;piperonylbutoxide;5-{[2-(2-butoxyethoxy)ethoxy]methyl}-6-propyl-1,3-benzodioxole;1,3-benzodioxole, 5-((2-(2-butoxyethoxy)ethoxy)methyl)-6-propyl-;5-[[2-(2-butoxyethoxy)ethoxy]methyl]-6-propyl-1,3-benzodioxole;piperonyl butoxide/resmethrin mix -scourge mf;piperonyl butoxide/pyrethrin mixture;5-{[(2-{[2-(butyloxy)ethyl]oxy}ethyl)oxy]methyl}-6-propyl-1,3-benzodioxole;piperonyl;toluene, alpha-(2-(2-butoxyethoxy)ethoxy)-4,5-(methylenedioxy)-2-propyl-;51-03-6","c12c(cc(COCCOCCOCCCC)c(CCC)c1)OCO2","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","1,3-Benzodioxoles (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["51-03-6","toluene,;piperonyl butoxide;piperonyl butoxide in solvent;pyrenone 606;toluene, .alpha.-(2-(2-butoxyethoxy)ethoxy)-4,5-(methylenedioxy)-2-propyl-;1,3-benzodioxole, 5- 2-(2-butoxyethoxy)ethoxy methyl -6-propyl-;1,3-benzodioxole, 5-((2-(2-but;2-(2-butoxyethoxy)ethyl 6-propylpiperonyl ether;1,3-benzodioxole, 5-[[2-(2-butoxyethoxy)ethoxy]methyl]-6-propyl-;piperonylbutoxide;5-{[2-(2-butoxyethoxy)ethoxy]methyl}-6-propyl-1,3-benzodioxole;1,3-benzodioxole, 5-((2-(2-butoxyethoxy)ethoxy)methyl)-6-propyl-;5-[[2-(2-butoxyethoxy)ethoxy]methyl]-6-propyl-1,3-benzodioxole;piperonyl butoxide/resmethrin mix -scourge mf;piperonyl butoxide/pyrethrin mixture;5-{[(2-{[2-(butyloxy)ethyl]oxy}ethyl)oxy]methyl}-6-propyl-1,3-benzodioxole;piperonyl;toluene, alpha-(2-(2-butoxyethoxy)ethoxy)-4,5-(methylenedioxy)-2-propyl-;51-03-6","c12c(cc(COCCOCCOCCCC)c(CCC)c1)OCO2","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","No alert found","1,3-Benzodioxoles (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["120-62-7","piperonyl sulfoxide;1-(3,4-methylenedioxyphenyl)isopropyl octyl sulphoxide;5-[2-(octylsulfinyl)propan-2-yl]-1,3-benzodioxole;1,2-(methylenedioxy)-4-(2-octylsulfinyl)propyl)benzene;5-[2-(octylsulfinyl)propyl]-1,3-benzodioxole;benzene, 1,2-(methylenedioxy)-4-(2-(octylsulfinyl)propyl)-;120-62-7","c12c(cc(CC(C)S(=O)CCCCCCCC)cc1)OCO2","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Methylenedioxyphenyl","1,3-Benzodioxoles (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["67774-32-7","hexabromobiphenyl;polybrominated biphenyl mixture;polybrominated biphenyl;polybrominated biphenyl mixture (firemaster ff-1);polybrominated biphenyls [firemaster ff1];firemaster ff 1","c1(-c2c(Br)cc(Br)c(Br)c2)c(Br)cc(Br)c(Br)c1","Negative",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","No alert found","Halogenated PAH (naphthalenes, biphenyls, diphenyls) (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","No alert found"]
["57-57-8","beta-propiolactone;2-oxetanone;propiolactone;beta-propionolactone;b-propriolactone;hydracrylic acid, .beta.-lactone;oxetan-2-one;ß-propiolactone;beta-propriolactone","C1(=O)CCO1","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"Michael addition|Michael addition >> alpha, beta-unsaturated carabonyl compounds|Michael addition >> alpha, beta-unsaturated carabonyl compounds >> Four- and Five-Membered Lactones|SN2|SN2 >> Ring opening SN2 reaction|SN2 >> Ring opening SN2 reaction >> Four- and Five-Membered Lactones","SN2|SN2 >> Ring opening SN2 Reaction|SN2 >> Ring opening SN2 Reaction >> Lactones","Propiolactones or propiosultones (Genotox)|Structural alert for genotoxic carcinogenicity","Michael addition|Michael addition >> alpha, beta-unsaturated carabonyl compounds|Michael addition >> alpha, beta-unsaturated carabonyl compounds >> Four- and Five-Membered Lactones|SN2|SN2 >> Ring opening SN2 reaction|SN2 >> Ring opening SN2 reaction >> Four- and Five-Membered Lactones","Propiolactones or propiosultones","H-acceptor-path3-H-acceptor|Propiolactones or propiosultones"]
["57-57-8","beta-propiolactone;2-oxetanone;propiolactone;beta-propionolactone;b-propriolactone;hydracrylic acid, .beta.-lactone;oxetan-2-one;ß-propiolactone;beta-propriolactone","C1(=O)CCO1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","Michael addition|Michael addition >> alpha, beta-unsaturated carabonyl compounds|Michael addition >> alpha, beta-unsaturated carabonyl compounds >> Four- and Five-Membered Lactones|SN2|SN2 >> Ring opening SN2 reaction|SN2 >> Ring opening SN2 reaction >> Four- and Five-Membered Lactones","SN2|SN2 >> Ring opening SN2 Reaction|SN2 >> Ring opening SN2 Reaction >> Lactones","Propiolactones or propiosultones (Genotox)|Structural alert for genotoxic carcinogenicity","Michael addition|Michael addition >> alpha, beta-unsaturated carabonyl compounds|Michael addition >> alpha, beta-unsaturated carabonyl compounds >> Four- and Five-Membered Lactones|SN2|SN2 >> Ring opening SN2 reaction|SN2 >> Ring opening SN2 reaction >> Four- and Five-Membered Lactones","Propiolactones or propiosultones","H-acceptor-path3-H-acceptor|Propiolactones or propiosultones"]
["121-79-9","propyl gallate;3,4,5-trihydroxybenzoic acid;propyl 3,4,5-trihydroxybenzoate;benzoic acid, 3,4,5-trihydroxy-, propyl ester;gallic acid, propyl ester;3,4,5-trihydroxybenzoic acid, propyl ester;121-79-9;propyl ester","C(=O)(c1cc(O)c(O)c(O)c1)OCCC","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["121-79-9","propyl gallate;3,4,5-trihydroxybenzoic acid;propyl 3,4,5-trihydroxybenzoate;benzoic acid, 3,4,5-trihydroxy-, propyl ester;gallic acid, propyl ester;3,4,5-trihydroxybenzoic acid, propyl ester;121-79-9;propyl ester","C(=O)(c1cc(O)c(O)c(O)c1)OCCC","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["115-07-1","1-propene;propylene;propene;prop-1-ene;propene, pure","C(=C)C","Negative",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["75-56-9","propylene oxide;1,2-propylene oxide;oxirane, methyl-;propane, 1,2-epoxy-;oxypropylene\"\"\";methyloxirane;1,2-epoxypropane;oxypropylene;2-methyloxirane;methyloxirane(propyleneoxide);oxypropylene\";75-56-9","C1(C)CO1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines","SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides","Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines","Epoxides and aziridines","Epoxides and aziridines"]
["117-39-5","quercetin;2-(3,4-dihydroxy-phenyl)-3,5,7-trihydroxy-chromen-4-one;3,3',4',5,7-pentahydroxyflavone;4h-1-benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-;2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4h-chromen-4-one;2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4h-1-benzopyran-4-one;117-39-5","C1(O)C(=O)c2c(O)cc(O)cc2OC=1c1cc(O)c(O)cc1","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones","Quercetin type flavonoids (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["117-39-5","quercetin;2-(3,4-dihydroxy-phenyl)-3,5,7-trihydroxy-chromen-4-one;3,3',4',5,7-pentahydroxyflavone;4h-1-benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-;2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4h-chromen-4-one;2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4h-1-benzopyran-4-one;117-39-5","C1(O)C(=O)c2c(O)cc(O)cc2OC=1c1cc(O)c(O)cc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones","Quercetin type flavonoids (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["105-11-3","p-quinone dioxime;para-benzoquinone dioxime;2,5-cyclohexadiene-1,4-dione, dioxime;p-benzoquinone dioxime;p-benzoquinone, dioxime;benzoquinone dioxime;1,4-benzoquinone dioxime;105-11-3","C1(=NO)C=CC(=NO)C=C1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Specific Imine and Thione Derivatives|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> N-hydroxylamines|SN2|SN2 >> Diazonium ion formation|SN2 >> Diazonium ion formation >> Specific Imine and Thione Derivatives","No alert found","No alert found","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Specific Imine and Thione Derivatives|SN2|SN2 >> Diazonium ion formation|SN2 >> Diazonium ion formation >> Specific Imine and Thione Derivatives","No alert found","H-acceptor-path3-H-acceptor"]
["3567-69-9","acid red 14;1-naphthalenesulfonic acid, 4-hydroxy-3-[(4-sulfo-1-naphthalenyl)azo]-, disodium salt;disodium 4-hydroxy-3-[(e)-(4-sulfonato-1-naphthyl)diazenyl]naphthalene-1-sulfonate","c1(S(=O)(=O)O)c2c(c(O)c(N=Nc3c4c(c(S(=O)(=O)O)cc3)cccc4)c1)cccc2","Negative",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality, Conflict","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["3761-53-3","acid red 26;2,7-naphthalenedisulfonic acid, 4-[(2,4-dimethylphenyl)azo]-3-hydroxy-, disodium salt;disodium 4-[(e)-(2,4-dimethylphenyl)diazenyl]-3-hydroxynaphthalene-2,6-disulfonate","c1(S(=O)(=O)O)c(O)c(N=Nc2c(C)cc(C)cc2)c2c(cc(S(=O)(=O)O)cc2)c1","Negative",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality, Conflict","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","No alert found","Aromatic diazo (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Aromatic diazo","Aromatic diazo|H-acceptor-path3-H-acceptor"]
["50-55-5","reserpine;yohimban-16-carboxylic acid, 11,17-dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]-, methyl ester, (3.beta.,16.beta.,17.alpha.,18.beta.,20.alpha.)-;methyl (3beta,16beta,17alpha,18beta,20alpha)-11,17-dimethoxy-18-{[(3,4,5-trimethoxyphenyl)carbonyl]oxy}yohimban-16-carboxylate;3-beta,20-alpha-yohimban-16-beta-carboxylic acid, 18-beta-hydroxy-11,17-alpha-dimethoxy-, methyl ester, 3,4,5-trimethoxybenzoate (ester);(-)-form","C12c3c(cc(OC)cc3)NC=1C1CC3C(C(=O)OC)C(OC)C(OC(=O)c4cc(OC)c(OC)c(OC)c4)CC3CN1CC2","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones|SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","No alert found","No alert found","No alert found","1,3-dialkoxy-benzene|H-acceptor-path3-H-acceptor"]
["50-55-5","reserpine;yohimban-16-carboxylic acid, 11,17-dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]-, methyl ester, (3.beta.,16.beta.,17.alpha.,18.beta.,20.alpha.)-;methyl (3beta,16beta,17alpha,18beta,20alpha)-11,17-dimethoxy-18-{[(3,4,5-trimethoxyphenyl)carbonyl]oxy}yohimban-16-carboxylate;3-beta,20-alpha-yohimban-16-beta-carboxylic acid, 18-beta-hydroxy-11,17-alpha-dimethoxy-, methyl ester, 3,4,5-trimethoxybenzoate (ester);(-)-form","C12c3c(cc(OC)cc3)NC=1C1CC3C(C(=O)OC)C(OC)C(OC(=O)c4cc(OC)c(OC)c(OC)c4)CC3CN1CC2","Negative",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones|SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","No alert found","No alert found","No alert found","1,3-dialkoxy-benzene|H-acceptor-path3-H-acceptor"]
["108-46-3","resorcinol  (1,3-dihydroxybenzene);resorcinol;benzene-1,3-diol;1,3-benzenediol;resorcin;1,3-dihydroxybenzene","c1(O)cc(O)ccc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["569-61-9","basic red 9;benzenamine, 4-[(4-aminophenyl)(4-imino-2,5-cyclohexadien-1-ylidene)methyl]-, monohydrochloride;4,4'-[(4-iminocyclohexa-2,5-dien-1-ylidene)methanediyl]dianiline hydrochloride","c1(C(c2ccc(N)cc2)=C2C=CC(=N)C=C2)ccc(N)cc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality, Conflict","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Specific Imine and Thione Derivatives|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN2|SN2 >> Diazonium ion formation|SN2 >> Diazonium ion formation >> Specific Imine and Thione Derivatives","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Specific Imine and Thione Derivatives|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN2|SN2 >> Diazonium ion formation|SN2 >> Diazonium ion formation >> Specific Imine and Thione Derivatives","Primary aromatic amine,hydroxyl amine and its derived esters","Primary aromatic amine, hydroxyl amine and its derived esters"]
["83-79-4","rotenone;[1]benzopyrano[3,4-b]furo[2,3-h][1]benzopyran-6(6ah)-one,1,2,12,12a-tetrahydro-8,9-dimethoxy-2-(1-methylethenyl)-, [2r-(2à,6aà,12aà)]- (rotenone);(2r,6as,12as)-1,2,6,6a,12,12a-hexahydro-2-isopropenyl-8,9-dimethoxychromeno[3,4-b]furo[2,3-h]chromen-6-one;[1]benzopyrano[3,4-b]furo[2,3-h][1]benzopyran-6(6ah)-one, 1,2,12,12a-tetrahydro-8,9-dimethoxy-2-(1-methylethenyl)-, [2r-(2?,6a?,12a?)]-;(2r,6as,12as)-8,9-dimethoxy-2-(prop-1-en-2-yl)-1,2,12,12a-tetrahydrochromeno[3,4-b]furo[2,3-h]chromen-6(6ah)-one;[1]benzopyrano[3,4-b]furo[2,3-h][1]benzopyran-6(6ah)-one, 1,2,12,12a-tetrahydro-8,9-dimethoxy-2-(1-methylethenyl)-, [2r-(2.alpha.,6a.alpha.,12a.alpha.)]-;[2r-(2-alpha, 6a-alpha, 12a-alpha)]-1,2,12,12a-tetrahydro-8,9-dimethoxy-2-(1-methylethenyl)-[1]-benzopyrano[3,4-b]furo[2,3-h][1]benzopyran-6(6ah)-one;rotenone and other cube resins- mixture;rotenone/n-octyl sulfoxide mixture;rotenone/n-octyl sulfoxide/other cube extract;rotenone and other cube resins (noxfish toxic;rotenone and other cube resins (security fish;rotenone and other cube resins (pearsons 5% r;rotenone and other cube resins (stephenson's;rotenone and other cube resins (prentiss cube;rotenone and other cube resins (millers rotif;rotenone and other cube resins (prentox cube;rotenone and other cube resins (el sol cube r;rotenone and other cube resins (unico rotenon;(1)benzopyrano(3,4-b)furo(2,3-h)(1)benzopyran-6(6ah)-one, 1,2,12,12a-tetrahydro-8,9-dimethoxy-2-(1-methylethenyl)-, (2r-(2alpha,6aalpha,12aalpha))-","C1(=O)c2c(c3c(cc2)OC(C(=C)C)C3)OC2C1c1c(cc(OC)c(OC)c1)OC2","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","No alert found","No alert found","No alert found","No alert found","1,3-dialkoxy-benzene|H-acceptor-path3-H-acceptor"]
["81-07-2","1,1-dioxo-1,2-dihydro-1$l%6&-benzo[d]isothiazol-3-one;saccharin;1,1-diox-1,2-benzisothiazol-3-one;saccharin (acid form);1,2-benzisothiazol-3(2h)-one 1,1-dioxide;1,2-benzisothiazol-3(2h)-one, 1,1-dioxide;saccharin [usan]","C1(=O)c2c(cccc2)S(=O)(=O)N1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["94-59-7","safrole;5-allyl-1,3-benzodioxole;1,3-benzodioxole, 5-(2-propenyl)-;5-(2-propenyl)-1,3-benzodioxole;benzene, 4-allyl-1,2-(methylenedioxy)-;safroleexceptfornormalcontentinthe naturalessencesusedandprovidedthe concentrationdoesnotexceed: 100 ppminthefinishedproduct,50 ppminproductsfordentalandoralhygiene,andprovidedthatsafroleisnot presentintoothpastesintendedspecifically forchildren;94-59-7","c12c(cc(CC=C)cc1)OCO2","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Methylenedioxyphenyl|SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Allyl benzenes","1,3-Benzodioxoles (Nongenotox)|Alkylbenzenes (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["94-59-7","safrole;5-allyl-1,3-benzodioxole;1,3-benzodioxole, 5-(2-propenyl)-;5-(2-propenyl)-1,3-benzodioxole;benzene, 4-allyl-1,2-(methylenedioxy)-;safroleexceptfornormalcontentinthe naturalessencesusedandprovidedthe concentrationdoesnotexceed: 100 ppminthefinishedproduct,50 ppminproductsfordentalandoralhygiene,andprovidedthatsafroleisnot presentintoothpastesintendedspecifically forchildren;94-59-7","c12c(cc(CC=C)cc1)OCO2","Positive",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Methylenedioxyphenyl|SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Allyl benzenes","1,3-Benzodioxoles (Nongenotox)|Alkylbenzenes (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["110-44-1","(2e,4e)-hexa-2,4-dienoic acid;2,4-hexadienoic acid, (2e,4e)-;sorbic acid;2,4-hexadienoic acid, (e,e)-;sorbic acid\"\"\";hexa-2,4-dienoic acid;2,4-hexadienoic acid;trans,trans-sorbic acid;110-44-1;(2<i>e</i>,4<i>e</i>)-form","C(=O)(O)C=CC=CC","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["100-42-5","styrene;benzene, ethenyl-;ethenylbenzene;styrene monomer;100-42-5","c1(C=C)ccccc1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["100-42-5","styrene;benzene, ethenyl-;ethenylbenzene;styrene monomer;100-42-5","c1(C=C)ccccc1","Positive",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["100-42-5","styrene;benzene, ethenyl-;ethenylbenzene;styrene monomer;100-42-5","c1(C=C)ccccc1","Negative",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system hamster","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["96-09-3","styrene oxide;oxirane, 2-phenyl-;(epoxyethyl)benzene;oxirane, phenyl-;2-phenyloxirane;(epoxyethyl)benzene (styreneoxide);phenyloxirane;1,2-epoxyethylbenzene;benzene, (epoxyethyl)-;96-09-3","c1(C2CO2)ccccc1","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes|SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides","Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines","Epoxides and aziridines","Epoxides and aziridines"]
["96-09-3","styrene oxide;oxirane, 2-phenyl-;(epoxyethyl)benzene;oxirane, phenyl-;2-phenyloxirane;(epoxyethyl)benzene (styreneoxide);phenyloxirane;1,2-epoxyethylbenzene;benzene, (epoxyethyl)-;96-09-3","c1(C2CO2)ccccc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes|SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides","Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines","Epoxides and aziridines","Epoxides and aziridines"]
["108-30-5","succinic anhydride;2,5-furandione, dihydro-;dihydrofuran-2,5-dione;dihydro-2,5-furandione;108-30-5","C1(=O)CCC(=O)O1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"Michael addition|Michael addition >> alpha, beta-unsaturated carabonyl compounds|Michael addition >> alpha, beta-unsaturated carabonyl compounds >> Four- and Five-Membered Lactones|SN2|SN2 >> Ring opening SN2 reaction|SN2 >> Ring opening SN2 reaction >> Four- and Five-Membered Lactones","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor|Oxolane"]
["127-69-5","sulfisoxazole;4-amino-n-(3,4-dimethyl-isoxazol-5-yl)-benzenesulfonamide;sulfafurazole;benzenesulfonamide, 4-amino-n-(3,4-dimethyl-5-isoxazolyl)-;4-amino-n-(3,4-dimethylisoxazol-5-yl)benzenesulfonamide;127-69-5","C1(C)C(C)=C(NS(=O)(=O)c2ccc(N)cc2)ON=1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Benzenesulfonic ethers, methylation (Nongenotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","Primary aromatic amine,hydroxyl amine and its derived esters","H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters"]
["77-79-2","3-sulfolene;2,5-dihydrothiophene 1,1-dioxide;sulfolene, 3-;thiophene, 2,5-dihydro-, 1,1-dioxide;beta-sulfolene;77-79-2","C1=CCS(=O)(=O)C1","Negative",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["542-75-6","1,3-dichloropropene;telone ii, technical grade (with 1% epichlorohydrin);telone ii, technical grade (without epichlorohydrin);telone ii, technical;1,3-dichloropropene (isomer mix);dichloropropene;1,3-dichloropropene [bsi:iso];dichloropropene, 1,3-;1,3-dichloropropene (telone ii);1-propene, 1,3-dichloro-;propene, 1,3-dichloro-;1,3-dichloroprop-1-ene;1,3-dichloro-1-propene;1,3 dichloropropene (3-chloroprop-2-en-ol );1,3 dichloropropene (3-caa metabolite);1,3 dichloropropene 3-chloroallyl alcohol deg;1,3 dichloropropene (telone soil fumigant);1,3 dichloropropene 3-chloroacrylic acid degr;1,3-dichloropropene, mixture","C(Cl)=CCCl","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives","SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides","Aliphatic halogens (Genotox)|Monohaloalkene (Genotox)|Structural alert for genotoxic carcinogenicity","Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives","Aliphatic halogens|Monohaloalkene","Aliphatic halogen|Monohaloalkene"]
["542-75-6","1,3-dichloropropene;telone ii, technical grade (with 1% epichlorohydrin);telone ii, technical grade (without epichlorohydrin);telone ii, technical;1,3-dichloropropene (isomer mix);dichloropropene;1,3-dichloropropene [bsi:iso];dichloropropene, 1,3-;1,3-dichloropropene (telone ii);1-propene, 1,3-dichloro-;propene, 1,3-dichloro-;1,3-dichloroprop-1-ene;1,3-dichloro-1-propene;1,3 dichloropropene (3-chloroprop-2-en-ol );1,3 dichloropropene (3-caa metabolite);1,3 dichloropropene 3-chloroallyl alcohol deg;1,3 dichloropropene (telone soil fumigant);1,3 dichloropropene 3-chloroacrylic acid degr;1,3-dichloropropene, mixture","C(Cl)=CCCl","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives","SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides","Aliphatic halogens (Genotox)|Monohaloalkene (Genotox)|Structural alert for genotoxic carcinogenicity","Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives","Aliphatic halogens|Monohaloalkene","Aliphatic halogen|Monohaloalkene"]
["542-75-6","1,3-dichloropropene;telone ii, technical grade (with 1% epichlorohydrin);telone ii, technical grade (without epichlorohydrin);telone ii, technical;1,3-dichloropropene (isomer mix);dichloropropene;1,3-dichloropropene [bsi:iso];dichloropropene, 1,3-;1,3-dichloropropene (telone ii);1-propene, 1,3-dichloro-;propene, 1,3-dichloro-;1,3-dichloroprop-1-ene;1,3-dichloro-1-propene;1,3 dichloropropene (3-chloroprop-2-en-ol );1,3 dichloropropene (3-caa metabolite);1,3 dichloropropene 3-chloroallyl alcohol deg;1,3 dichloropropene (telone soil fumigant);1,3 dichloropropene 3-chloroacrylic acid degr;1,3-dichloropropene, mixture","C(Cl)=CCCl","Positive",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives","SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides","Aliphatic halogens (Genotox)|Monohaloalkene (Genotox)|Structural alert for genotoxic carcinogenicity","Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives","Aliphatic halogens|Monohaloalkene","Aliphatic halogen|Monohaloalkene"]
["2438-88-2","2,3,5,6-tetrachloro-4-nitroanisole;2,3,5,6-tetrachloro-4-nitroaniline;4-nitro-2,3,5,6-tetrachloroanisole;1,2,4,5-tetrachloro-3-methoxy-6-nitrobenzene;benzene, 1,2,4,5-tetrachloro-3-methoxy-6-nitro- (9ci);2438-88-2","c1(Cl)c(Cl)c(OC)c(Cl)c(Cl)c1N(=O)=O","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","No alert found","No alert found","No alert found","No alert found","No alert found"]
["79-34-5","ethane, 1,1,2,2-tetrachloro-;1,1,2,2-tetrachloroethane;tetrachloroethane, 1,1,2,2-;1,1,2,2,-tetrachloroethane;ethane, 1,1,2,2-tetrachloro-\"\"\";ethane, 1,1,2,2-tetrachloro-\";79-34-5","C(Cl)(Cl)C(Cl)Cl","Negative",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation >> Vicinal Dihaloalkanes|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes","Acylation|Acylation >> P450 Mediated Activation to Acyl Halides|Acylation >> P450 Mediated Activation to Acyl Halides >> 1,1-Dihaloalkanes","Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes","Aliphatic halogens","Aliphatic halogen"]
["97-77-8","disulfiram [ban:inn:jan];disulfiram;tetraethylthiuram disulfide;tetraethylthiuramdisulfide disulfiram;tetraethylthiourea disulfide;bis(diethylthiocarbamoyl)disulfide;thioperoxydicarbonic diamide ([(h2n)c(s)]2s2), tetraethyl-;thioperoxydicarbonic diamide, tetraethyl-;disulfide, bis(diethylthiocarbamoyl);thioperoxydicarbonic diamide, (Х(h2n)c(s)е2s2), tetraethyl-;1,1',1'',1'''-[disulfanediylbis(carbonothioylnitrilo)]tetraethane;disulfiram(inn);thiram(inn);n,n,n',n'-tetraethylthioperoxydicarbonic diamide ([(h2n)c(s)]2s2);1,1',1'',1'''-[dithiobis(carbonothioylnitrilo)]tetraethane;thioperoxydicarbonic diamide (((h2n)c(s))2s2), tetraethyl-;97-77-8","C(=S)(N(CC)CC)SSC(=S)N(CC)CC","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","Structural alert for nongenotoxic carcinogenicity|Thiocarbonyl (Nongenotox)","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["137-26-8","thiram;thioperoxydicarbonic diamide ([(h2n)c(s)]2s2), n,n,n',n'-tetramethyl-;tetramethylthiuram disulfide;thioperoxydicarbonic diamide ([(h2n)c(s)]2s2), tetramethyl-;tetramethylthioperoxydicarbonicdiamide;thioperoxydicarbonic diamide, tetramethyl-;disulfide, bis(dimethylthiocarbamoyl);thioperoxydicarbonic diamide, (Õ(h2n)c(s)å2s2), tetramethyl-\"\"\";tetramethylthiuram (thiuram;tmtd);thioperoxydicarbonic diamide, (Х(h2n)c(s)е2s2), tetramethyl-;[disulfanediylbis(carbonothioylnitrilo)]tetramethane;disulfiram(inn);thiram(inn);tetramethylthioperoxydicarbonic diamide ([(h2n)c(s)]2s2);tetramethylthiuramdisulfide;[dithiobis(carbonothioylnitrilo)]tetramethane;tetramethyl-thioperoxydicarbonic diamide;thioperoxydicarbonic diamide, (Х(h2n)c(s)е2s2), tetramethyl-\";thioperoxydicarbonic diamide (((h2n)c(s))2s2), tetramethyl-;137-26-8","C(=S)(N(C)C)SSC(=S)N(C)C","Negative",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","No alert found","SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","Structural alert for nongenotoxic carcinogenicity|Thiocarbonyl (Nongenotox)","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["137-26-8","thiram;thioperoxydicarbonic diamide ([(h2n)c(s)]2s2), n,n,n',n'-tetramethyl-;tetramethylthiuram disulfide;thioperoxydicarbonic diamide ([(h2n)c(s)]2s2), tetramethyl-;tetramethylthioperoxydicarbonicdiamide;thioperoxydicarbonic diamide, tetramethyl-;disulfide, bis(dimethylthiocarbamoyl);thioperoxydicarbonic diamide, (Õ(h2n)c(s)å2s2), tetramethyl-\"\"\";tetramethylthiuram (thiuram;tmtd);thioperoxydicarbonic diamide, (Х(h2n)c(s)е2s2), tetramethyl-;[disulfanediylbis(carbonothioylnitrilo)]tetramethane;disulfiram(inn);thiram(inn);tetramethylthioperoxydicarbonic diamide ([(h2n)c(s)]2s2);tetramethylthiuramdisulfide;[dithiobis(carbonothioylnitrilo)]tetramethane;tetramethyl-thioperoxydicarbonic diamide;thioperoxydicarbonic diamide, (Х(h2n)c(s)е2s2), tetramethyl-\";thioperoxydicarbonic diamide (((h2n)c(s))2s2), tetramethyl-;137-26-8","C(=S)(N(C)C)SSC(=S)N(C)C","Positive",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system hamster","No alert found","SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","Structural alert for nongenotoxic carcinogenicity|Thiocarbonyl (Nongenotox)","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["52-24-4","thio-tepa;thiotepa;tris(1-aziridinyl)phosphine sulfide;1,1',1''-phosphorothioyltriaziridine;aziridine, 1,1',1''-phosphinothioylidynetris-;thiotepa(inn);1,1',1''-phosphinothioylidynetrisaziridine;1,1',1\"-phosphinothioylidynetrisaziridine;52-24-4","C1CN1P(=S)(N1CC1)N1CC1","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines","SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Aziridines","Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines","Epoxides and aziridines","Epoxides and aziridines"]
["1156-19-0","tolazamide;n-(azepan-1-ylcarbamoyl)-4-methylbenzenesulfonamide;benzenesulfonamide, n-[[(hexahydro-1h-azepin-1-yl)amino]carbonyl]-4-methyl-;n-[(azepan-1-ylamino)carbonyl]-4-methylbenzenesulfonamide;benzenesulfonamide, n-(((hexahydro-1h-azepin-1-yl)amino)carbonyl)-4-methyl-","c1(S(=O)(=O)NC(=O)NN2CCCCCC2)ccc(C)cc1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives","No alert found","Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Hydrazine","H-acceptor-path3-H-acceptor|Hydrazine"]
["1156-19-0","tolazamide;n-(azepan-1-ylcarbamoyl)-4-methylbenzenesulfonamide;benzenesulfonamide, n-[[(hexahydro-1h-azepin-1-yl)amino]carbonyl]-4-methyl-;n-[(azepan-1-ylamino)carbonyl]-4-methylbenzenesulfonamide;benzenesulfonamide, n-(((hexahydro-1h-azepin-1-yl)amino)carbonyl)-4-methyl-","c1(S(=O)(=O)NC(=O)NN2CCCCCC2)ccc(C)cc1","Negative",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives","No alert found","Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Hydrazine","H-acceptor-path3-H-acceptor|Hydrazine"]
["64-77-7","tolbutamide;benzenesulfonamide, n-[(butylamino)carbonyl]-4-methyl-;benzenesulfonamide, n- (butylamino)carbonyl -4-methyl-;urea, 1-butyl-3-(p-tolylsulfonyl)-;benzenesulfonamide, n-((butylamino)carbonyl)-4-methyl-;n-(butylcarbamoyl)-4-methylbenzenesulfonamide;tolbutamide(inn);n-[(butylamino)carbonyl]-4-methylbenzenesulfonamide;64-77-7","c1(S(=O)(=O)NC(=O)NCCCC)ccc(C)cc1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives","Acylation|Acylation >> P450 Mediated Activation to Isocyanates or Isothiocyanates|Acylation >> P450 Mediated Activation to Isocyanates or Isothiocyanates >> Sulfonylureas","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["64-77-7","tolbutamide;benzenesulfonamide, n-[(butylamino)carbonyl]-4-methyl-;benzenesulfonamide, n- (butylamino)carbonyl -4-methyl-;urea, 1-butyl-3-(p-tolylsulfonyl)-;benzenesulfonamide, n-((butylamino)carbonyl)-4-methyl-;n-(butylcarbamoyl)-4-methylbenzenesulfonamide;tolbutamide(inn);n-[(butylamino)carbonyl]-4-methylbenzenesulfonamide;64-77-7","c1(S(=O)(=O)NC(=O)NCCCC)ccc(C)cc1","Negative",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives","Acylation|Acylation >> P450 Mediated Activation to Isocyanates or Isothiocyanates|Acylation >> P450 Mediated Activation to Isocyanates or Isothiocyanates >> Sulfonylureas","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["108-88-3","toluene;toulene;benzene, methyl-;methylbenzene;108-88-3","c1(C)ccccc1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes","No alert found","No alert found","No alert found","No alert found"]
["108-88-3","toluene;toulene;benzene, methyl-;methylbenzene;108-88-3","c1(C)ccccc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes","No alert found","No alert found","No alert found","No alert found"]
["108-88-3","toluene;toulene;benzene, methyl-;methylbenzene;108-88-3","c1(C)ccccc1","Negative",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes","No alert found","No alert found","No alert found","No alert found"]
["396-01-0","triamterene;2,4,7-triamino-6-phenyl pteridine;2,4,7-pteridinetriamine, 6-phenyl-;6-phenylpteridine-2,4,7-triamine;triamterene(inn)anditssalts;pteridine, 2,4,7-triamino-6-phenyl-;396-01-0","c1(-c2c(N)nc3c(c(N)nc(N)n3)n2)ccccc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","No alert found","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","Primary aromatic amine,hydroxyl amine and its derived esters","H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters"]
["396-01-0","triamterene;2,4,7-triamino-6-phenyl pteridine;2,4,7-pteridinetriamine, 6-phenyl-;6-phenylpteridine-2,4,7-triamine;triamterene(inn)anditssalts;pteridine, 2,4,7-triamino-6-phenyl-;396-01-0","c1(-c2c(N)nc3c(c(N)nc(N)n3)n2)ccccc1","Negative",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","No alert found","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","Primary aromatic amine,hydroxyl amine and its derived esters","H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters"]
["75-25-2","tribromomethane;bromoform;methane, tribromo-;75-25-2","C(Br)(Br)Br","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes","No alert found","Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes","Aliphatic halogens","Aliphatic halogen"]
["75-25-2","tribromomethane;bromoform;methane, tribromo-;75-25-2","C(Br)(Br)Br","Positive",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes","No alert found","Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes","Aliphatic halogens","Aliphatic halogen"]
["75-25-2","tribromomethane;bromoform;methane, tribromo-;75-25-2","C(Br)(Br)Br","Negative",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system hamster","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes","No alert found","Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes","Aliphatic halogens","Aliphatic halogen"]
["76-03-9","acetic acid, 2,2,2-trichloro-;trichloroacetic acid (tca);trichloroacetic acid;trichloro-acetic acid;acetic acid, trichloro-;tca-sodium;trichloro acetic acid;tca;trichloroaceticacid","C(Cl)(Cl)(Cl)C(=O)O","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups","No alert found","Alkyl halides (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups","No alert found","H-acceptor-path3-H-acceptor"]
["71-55-6","ethane, 1,1,1-trichloro-;1,1,1-trichloroethane;trichloroethane, 1,1,1-;1,1,1-trichloroethane, technical grade;methylchloroform;chlorten\"\"\";chlorten;1,1,1-trichlorethane;methyl chloroform;chlorten\";71-55-6","C(C)(Cl)(Cl)Cl","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes","No alert found","No alert found","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes","No alert found","No alert found"]
["71-55-6","ethane, 1,1,1-trichloro-;1,1,1-trichloroethane;trichloroethane, 1,1,1-;1,1,1-trichloroethane, technical grade;methylchloroform;chlorten\"\"\";chlorten;1,1,1-trichlorethane;methyl chloroform;chlorten\";71-55-6","C(C)(Cl)(Cl)Cl","Negative",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes","No alert found","No alert found","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes","No alert found","No alert found"]
["71-55-6","ethane, 1,1,1-trichloro-;1,1,1-trichloroethane;trichloroethane, 1,1,1-;1,1,1-trichloroethane, technical grade;methylchloroform;chlorten\"\"\";chlorten;1,1,1-trichlorethane;methyl chloroform;chlorten\";71-55-6","C(C)(Cl)(Cl)Cl","Negative",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes","No alert found","No alert found","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes","No alert found","No alert found"]
["88-06-2","2,4,6-trichlorophenol;trichlorophenol, 2,4,6-;chlorophenol, 2,4,6-;2,4,6-trichloro-phenol;phenol, 2,4,6-trichloro-;2,4,6trichlorophenol;2,4,6-trichlorophenol (phenachlor);88-06-2","c1(Cl)c(O)c(Cl)cc(Cl)c1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["88-06-2","2,4,6-trichlorophenol;trichlorophenol, 2,4,6-;chlorophenol, 2,4,6-;2,4,6-trichloro-phenol;phenol, 2,4,6-trichloro-;2,4,6trichlorophenol;2,4,6-trichlorophenol (phenachlor);88-06-2","c1(Cl)c(O)c(Cl)cc(Cl)c1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["88-06-2","2,4,6-trichlorophenol;trichlorophenol, 2,4,6-;chlorophenol, 2,4,6-;2,4,6-trichloro-phenol;phenol, 2,4,6-trichloro-;2,4,6trichlorophenol;2,4,6-trichlorophenol (phenachlor);88-06-2","c1(Cl)c(O)c(Cl)cc(Cl)c1","Positive",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["88-06-2","2,4,6-trichlorophenol;trichlorophenol, 2,4,6-;chlorophenol, 2,4,6-;2,4,6-trichloro-phenol;phenol, 2,4,6-trichloro-;2,4,6trichlorophenol;2,4,6-trichlorophenol (phenachlor);88-06-2","c1(Cl)c(O)c(Cl)cc(Cl)c1","Negative",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system hamster","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["96-18-4","propane, 1,2,3-trichloro-;1,2,3-trichloropropane;trichloropropane;1,2,3trichloropropane;1,2,3-trichloropropane,;96-18-4","C(Cl)(CCl)CCl","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","SN2|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation >> Vicinal Dihaloalkanes","SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> 1,2-Dihaloalkanes","Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Aliphatic halogens","Aliphatic halogen"]
["1330-78-5","tricresylphosphate","c1(O)c(OP(=O)(Oc2c(C)cc(O)cc2)Oc2c(C)ccc(O)c2)c(C)ccc1","Negative",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Moderate Quality, Conflict","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Alkyl phenols","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["1582-09-8","trifluralin;trifluralin, technical grade;benzenamine, 2,6-dinitro-n,n-dipropyl-4-(trifluoromethyl)-;2,6-dinitro-n,n-dipropyl-4-(trifluoromethyl)aniline;2,6-dinitro-n,n-dipropyl-4-(trifluoromethyl)benzenamine;p-toluidine, alpha,alpha,alpha-trifluoro-2,6-dinitro-n,n-dipropyl-;trifluralin (emulsion concentrate)","C(F)(F)(F)c1cc(N(=O)=O)c(N(CCC)CCC)c(N(=O)=O)c1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro","Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Nitro-aromatic","H-acceptor-path3-H-acceptor|Nitro-aromatic"]
["1582-09-8","trifluralin;trifluralin, technical grade;benzenamine, 2,6-dinitro-n,n-dipropyl-4-(trifluoromethyl)-;2,6-dinitro-n,n-dipropyl-4-(trifluoromethyl)aniline;2,6-dinitro-n,n-dipropyl-4-(trifluoromethyl)benzenamine;p-toluidine, alpha,alpha,alpha-trifluoro-2,6-dinitro-n,n-dipropyl-;trifluralin (emulsion concentrate)","C(F)(F)(F)c1cc(N(=O)=O)c(N(CCC)CCC)c(N(=O)=O)c1","Negative",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro","Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Nitro-aromatic","H-acceptor-path3-H-acceptor|Nitro-aromatic"]
["1582-09-8","trifluralin;trifluralin, technical grade;benzenamine, 2,6-dinitro-n,n-dipropyl-4-(trifluoromethyl)-;2,6-dinitro-n,n-dipropyl-4-(trifluoromethyl)aniline;2,6-dinitro-n,n-dipropyl-4-(trifluoromethyl)benzenamine;p-toluidine, alpha,alpha,alpha-trifluoro-2,6-dinitro-n,n-dipropyl-;trifluralin (emulsion concentrate)","C(F)(F)(F)c1cc(N(=O)=O)c(N(CCC)CCC)c(N(=O)=O)c1","Negative",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro","Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Nitro-aromatic","H-acceptor-path3-H-acceptor|Nitro-aromatic"]
["81-15-2","benzene, 1-(1,1-dimethylethyl)-3,5-dimethyl-2,4,6-trinitro-;2,4,6-trinitro-5-tert-butyl-1,3-xylene;musk xylene;2,4,6-trinitro-1,3-dimethyl-5-tert-butylbenzene;benzene, 1-(1,1-dimethylethyl)-3,5-dimethyl-2,4,;trinitro-t-butyl xylene;m-xylene, 5-tert-butyl-2,4,6-trinitro-\"\"\";5-tert-butyl-2,4,6-trinitro-m-xylene;m-xylene, 5-tert-butyl-2,4,6-trinitro-;1-tert-butyl-3,5-dimethyl-2,4,6-trinitrobenzene;1-(1,1-dimethylethyl)-3,5-dimethyl-2,4,6-trinitrobenzene","C(C)(C)(C)c1c(N(=O)=O)c(C)c(N(=O)=O)c(C)c1N(=O)=O","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","No alert found","No alert found","No alert found","No alert found","No alert found"]
["81-15-2","benzene, 1-(1,1-dimethylethyl)-3,5-dimethyl-2,4,6-trinitro-;2,4,6-trinitro-5-tert-butyl-1,3-xylene;musk xylene;2,4,6-trinitro-1,3-dimethyl-5-tert-butylbenzene;benzene, 1-(1,1-dimethylethyl)-3,5-dimethyl-2,4,;trinitro-t-butyl xylene;m-xylene, 5-tert-butyl-2,4,6-trinitro-\"\"\";5-tert-butyl-2,4,6-trinitro-m-xylene;m-xylene, 5-tert-butyl-2,4,6-trinitro-;1-tert-butyl-3,5-dimethyl-2,4,6-trinitrobenzene;1-(1,1-dimethylethyl)-3,5-dimethyl-2,4,6-trinitrobenzene","C(C)(C)(C)c1c(N(=O)=O)c(C)c(N(=O)=O)c(C)c1N(=O)=O","Negative",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","No alert found","No alert found","No alert found","No alert found","No alert found"]
["126-72-7","1-propanol, 2,3-dibromo-, 1,1',1''-phosphate;tris(2,3-dibromopropyl)phosphate;tris(2,3-dibromopropyl) phosphate;tris(2,3-dibromo-1-propyl) phosphate;1-propanol, 2,3-dibromo-, phosphate (3:1);2,3-dibromo-1-propanol, phosphate (3:1);tris (2,3-dibromopropyl) phosphate;126-72-7","C(Br)(COP(=O)(OCC(Br)CBr)OCC(Br)CBr)CBr","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"SN2|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation >> Vicinal Dihaloalkanes|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates","SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> 1,2-Dihaloalkanes","Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid (Genotox)|Structural alert for genotoxic carcinogenicity","SN2|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation >> Vicinal Dihaloalkanes|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates","Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid","Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid|H-acceptor-path3-H-acceptor"]
["78-42-2","tris(2-ethylhexyl)phosphate;tris(2-ethylhexyl) phosphate;phosphoric acid, tris(2-ethylhexyl) ester;tris(2-ethylhexyl)phosphate (tehp);tris (2-ethylhexyl) phosphate;tris(2-ethylhexyl)ester phosphoric acid;78-42-2","C(CCCC)(CC)COP(=O)(OCC(CCCC)CC)OCC(CCCC)CC","Negative",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates","No alert found","Structural alert for nongenotoxic carcinogenicity|Substituted n-alkylcarboxylic acids (Nongenotox)","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates","No alert found","H-acceptor-path3-H-acceptor"]
["73-22-3","l-tryptophan;(s)-2-amino-3-(1h-indol-3-yl)-propionic acid;l-(-)-tryptophane;tryptophan;tryptophane;tryptophan [usan:inn];tryptophan (van);(<i>s</i>)-form","C1(CC(N)C(=O)O)c2c(cccc2)NC=1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["73-22-3","l-tryptophan;(s)-2-amino-3-(1h-indol-3-yl)-propionic acid;l-(-)-tryptophane;tryptophan;tryptophane;tryptophan [usan:inn];tryptophan (van);(<i>s</i>)-form","C1(CC(N)C(=O)O)c2c(cccc2)NC=1","Negative",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["57-13-6","urea;urea [jan];57-13-6","C(N)(N)=O","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["51-79-6","carbamic acid, ethyl ester;urethane;ethyl carbamate (urethane);o-ethyl carbamate (urethane);urethane [ethyl carbamate];ethyl carbamate;urethane (ethyl carbamate);51-79-6","C(N)(=O)OCC","Negative",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","No alert found","Alkyl carbamate and thiocarbamate (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Alkyl carbamate and thiocarbamate","Alkyl carbamate and thiocarbamate|H-acceptor-path3-H-acceptor"]
["100-40-3","cyclohexene, 4-ethenyl-;4-vinyl-1-cyclohexene;4-vinylcyclohexene;cyclohexene, 4-vinyl-;4-ethenylcyclohexene;4-vinylcycohexene;cyclohexene, 4-vinyl- (8ci);100-40-3","C(=C)C1CC=CCC1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["75-35-4","1,1-dichloroethene;1,1-dichloroethylene,;dichloroethylene,1,1-;vinylidene chloride;ethene, 1,1-dichloro-;1,1-dichloroethylene;dichloroethylene, 1,1-;vinylidene dichloride;ethylene, 1,1-dichloro-;dichloroethylenes(acetylenechlorides) e.g.vinylidene chloride(1,1dichloroethylene);1,1-dichloroethene (9ci)","C(=C)(Cl)Cl","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["75-35-4","1,1-dichloroethene;1,1-dichloroethylene,;dichloroethylene,1,1-;vinylidene chloride;ethene, 1,1-dichloro-;1,1-dichloroethylene;dichloroethylene, 1,1-;vinylidene dichloride;ethylene, 1,1-dichloro-;dichloroethylenes(acetylenechlorides) e.g.vinylidene chloride(1,1dichloroethylene);1,1-dichloroethene (9ci)","C(=C)(Cl)Cl","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["75-35-4","1,1-dichloroethene;1,1-dichloroethylene,;dichloroethylene,1,1-;vinylidene chloride;ethene, 1,1-dichloro-;1,1-dichloroethylene;dichloroethylene, 1,1-;vinylidene dichloride;ethylene, 1,1-dichloro-;dichloroethylenes(acetylenechlorides) e.g.vinylidene chloride(1,1dichloroethylene);1,1-dichloroethene (9ci)","C(=C)(Cl)Cl","Positive",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["75-35-4","1,1-dichloroethene;1,1-dichloroethylene,;dichloroethylene,1,1-;vinylidene chloride;ethene, 1,1-dichloro-;1,1-dichloroethylene;dichloroethylene, 1,1-;vinylidene dichloride;ethylene, 1,1-dichloro-;dichloroethylenes(acetylenechlorides) e.g.vinylidene chloride(1,1dichloroethylene);1,1-dichloroethene (9ci)","C(=C)(Cl)Cl","Negative",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system hamster","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["2832-40-8","c.i. disperse yellow 3;4'-((6-hydroxy-m-tolyl)azo)acetanilide;c.i. disperse yellow;disperse yellow 3;n-[4-[(2-hydroxy-5-methylphenyl)azo]phenyl]acetamide;acetamide, n-[4-[(2-hydroxy-5-methylphenyl)azo]phenyl]-;n-{4-[(e)-(2-hydroxy-5-methylphenyl)diazenyl]phenyl}acetamide;acetamide, n- 4- (2-hydroxy-5-methylphenyl)azo phenyl -;acetamide, n-Х4-Х(2-hydroxy-5-methylphenyl)azoеphenylе-;acetanilide, 4'-(6-hydroxy-m-tolylazo)-;acetamide, n-(4-(2-(2-hydroxy-5-methylphenyl)diazenyl)phenyl)-","c1(O)c(N=Nc2ccc(NC(C)=O)cc2)cc(C)cc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Alkyl phenols|SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic azo","Aromatic diazo (Genotox)|Aromatic N-acyl amine (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Aromatic diazo|Aromatic N-acyl amine","Aromatic diazo|Aromatic N-acyl amine|H-acceptor-path3-H-acceptor"]
["6358-85-6","butanamide, 2,2'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(2,1-diazenediyl)]bis[3-oxo-n-phenyl-;c.i. pigment yellow 12;pigment yellow-12;van;pigment yellow 12;butanamide, 2,2'- (3,3'-dichloro 1,1'-biphenyl -4,4'-diyl)bis(azo) bis 3-oxo-n-phenyl-;2,2'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[3-oxo-n-phenylbutyramide];butanamide, 2,2’-[(3,3’-dichloro[1,1’-biphenyl]-4,4’-diyl)bis(azo)]bis[3-oxo-n-phenyl-;butanamide, 2,2'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[3-oxo-n-phenyl-;butanamide, 2,2'-Х(3,3'-dichloroХ1,1'-biphenylе-4,4'-diyl)bis(azo)еbisХ3-oxo-n-phenyl-;acetoacetanilide, 2,2''-(3,3'-dichloro-4,4'-biphenylylenebisazo)bis-;2,2'-[(3,3'-dichlorobiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis(3-oxo-n-phenylbutanamide);2,2'-[(3,3'-dichlorobiphenyl-4,4'-diyl)di(e)diazene-2,1-diyl]bis(3-oxo-n-phenylbutanamide)","c1(-c2cc(Cl)c(N=NC(C(C)=O)C(=O)Nc3ccccc3)cc2)cc(Cl)c(N=NC(C(C)=O)C(=O)Nc2ccccc2)cc1","Negative",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic azo","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["2783-94-0","fd&c yellow 6;2-naphthalenesulfonic acid, 6-hydroxy-5-[(4-sulfophenyl)azo]-, disodium salt;disodium 6-hydroxy-5-[(z)-(4-sulfonatophenyl)diazenyl]naphthalene-2-sulfonate","c1(O)c(N=Nc2ccc(S(=O)(=O)O)cc2)c2c(cc(S(=O)(=O)O)cc2)cc1","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality, Conflict","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["2783-94-0","fd&c yellow 6;2-naphthalenesulfonic acid, 6-hydroxy-5-[(4-sulfophenyl)azo]-, disodium salt;disodium 6-hydroxy-5-[(z)-(4-sulfonatophenyl)diazenyl]naphthalene-2-sulfonate","c1(O)c(N=Nc2ccc(S(=O)(=O)O)cc2)c2c(cc(S(=O)(=O)O)cc2)cc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality, Conflict","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["17924-92-4","zearalenone;[s-(e)]-3,4,5,6,9,10-hexahydro-14,16-dihydroxy-3-methyl-1h-2-benzoxacyclotetradecin-1,7(8h)-dione;zearalenone (mycotoxin);1h-2-benzoxacyclotetradecin-1,7(8h)-dione, 3,4,5,6,9,10-hexahydro-14,16-dihydroxy-3-methyl-, (3s,11e)-;(3s,11e)-14,16-dihydroxy-3-methyl-3,4,5,6,9,10-hexahydro-1h-2-benzoxacyclotetradecine-1,7(8h)-dione;(3s,11e)-3,4,5,6,9,10-hexahydro-14,16-dihydroxy-3-methyl-1h-2-benzoxacyclotetradecin-1,7(8h)dione;(<i>s</i>)-form","C1(=O)c2c(C=CCCCC(=O)CCCC(C)O1)cc(O)cc2O","Negative",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["75-07-0","ethanal;acetaldehyde;75-07-0","C(C)=O","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","Schiff base formers|Schiff base formers >> Direct Acting Schiff Base Formers|Schiff base formers >> Direct Acting Schiff Base Formers >> Mono aldehydes","Simple aldehyde (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Simple aldehyde","Simple aldehyde"]
["75-07-0","ethanal;acetaldehyde;75-07-0","C(C)=O","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","Schiff base formers|Schiff base formers >> Direct Acting Schiff Base Formers|Schiff base formers >> Direct Acting Schiff Base Formers >> Mono aldehydes","Simple aldehyde (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Simple aldehyde","Simple aldehyde"]
["75-07-0","ethanal;acetaldehyde;75-07-0","C(C)=O","Negative",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","No alert found","Schiff base formers|Schiff base formers >> Direct Acting Schiff Base Formers|Schiff base formers >> Direct Acting Schiff Base Formers >> Mono aldehydes","Simple aldehyde (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Simple aldehyde","Simple aldehyde"]
["75-07-0","ethanal;acetaldehyde;75-07-0","C(C)=O","Positive",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system hamster","No alert found","Schiff base formers|Schiff base formers >> Direct Acting Schiff Base Formers|Schiff base formers >> Direct Acting Schiff Base Formers >> Mono aldehydes","Simple aldehyde (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Simple aldehyde","Simple aldehyde"]
["79-10-7","acrylic acid;2-propenoic acid;acrilic acid;prop-2-enoic acid","C(=O)(O)C=C","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["107-13-1","acrylonitrile;2-propenoic acid;2-propenenitrile;107-13-1;nitrile","C(#N)C=C","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["107-13-1","acrylonitrile;2-propenoic acid;2-propenenitrile;107-13-1;nitrile","C(#N)C=C","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["107-13-1","acrylonitrile;2-propenoic acid;2-propenenitrile;107-13-1;nitrile","C(#N)C=C","Positive",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["50-76-0","actinomycin d;dactinomycin;2-amino-4,6-dimethyl-3-oxo-n,n'-bis[(6s,9r,10s,13r,18as)-2,5,9-trimethyl-1,4,7,11,14-pentaoxo-6,13-di(propan-2-yl)hexadecahydro-1h-pyrrolo[2,1-i][1,4,7,10,13]oxatetraazacyclohexadecin-10-yl]-3h-phenox|azine-1,9-dicarboxamide;2-amino-4,6-dimethyl-3-oxo-n,n'-bis[(6s,9r,10s,13r,18as)-2,5,9-trimethyl-6,13-bis(1-methylethyl)-1,4,7,11,14-pentaoxohexadecahydro-1h-pyrrolo[2,1-i][1,4,7,10,13]oxatetraazacyclohexadecin-10-yl]-3h-phenoxazine-1,9-dicarboxamide;50-76-0","C(=O)(C1C2C(=C(C)C(=O)C=1N)Oc1c(c(C(=O)NC3C(=O)NC(C(C)C)C(=O)N4C(C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC3C)CCC4)ccc1C)N=2)NC1C(=O)NC(C(C)C)C(=O)N2C(C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC1C)CCC2","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinoneimine Derivatives|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|Radical >> ROS formation after GSH depletion >> Quinoneimine Derivatives|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","No alert found","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinoneimine Derivatives|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Quinoneimine Derivatives","No alert found","H-acceptor-path3-H-acceptor"]
["50-76-0","actinomycin d;dactinomycin;2-amino-4,6-dimethyl-3-oxo-n,n'-bis[(6s,9r,10s,13r,18as)-2,5,9-trimethyl-1,4,7,11,14-pentaoxo-6,13-di(propan-2-yl)hexadecahydro-1h-pyrrolo[2,1-i][1,4,7,10,13]oxatetraazacyclohexadecin-10-yl]-3h-phenox|azine-1,9-dicarboxamide;2-amino-4,6-dimethyl-3-oxo-n,n'-bis[(6s,9r,10s,13r,18as)-2,5,9-trimethyl-6,13-bis(1-methylethyl)-1,4,7,11,14-pentaoxohexadecahydro-1h-pyrrolo[2,1-i][1,4,7,10,13]oxatetraazacyclohexadecin-10-yl]-3h-phenoxazine-1,9-dicarboxamide;50-76-0","C(=O)(C1C2C(=C(C)C(=O)C=1N)Oc1c(c(C(=O)NC3C(=O)NC(C(C)C)C(=O)N4C(C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC3C)CCC4)ccc1C)N=2)NC1C(=O)NC(C(C)C)C(=O)N2C(C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC1C)CCC2","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinoneimine Derivatives|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|Radical >> ROS formation after GSH depletion >> Quinoneimine Derivatives|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","No alert found","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinoneimine Derivatives|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Quinoneimine Derivatives","No alert found","H-acceptor-path3-H-acceptor"]
["10589-74-9","1-amyl-1-nitrosourea;urea, n-nitroso-n-pentyl-;1-nitroso-1-pentylurea;10589-74-9","C(N)(=O)N(CCCCC)N=O","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2","Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives","Alkyl and aryl N-nitroso groups","Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor"]
["88133-11-3","bemitradine;8-[2-(ethyloxy)ethyl]-7-phenyl[1,2,4]triazolo[1,5-c]pyrimidin-5-amine","C12C(CCOCC)=C(c3ccccc3)N=C(N)N1N=CN=2","Negative",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","No alert found","Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Hydrazine","H-acceptor-path3-H-acceptor|Hydrazine"]
["92-87-5","benzidine;biphenyl-4,4'-diamine;4,4'-diaminobiphenyl;[1,1'-biphenyl]-4,4'-diamine;(1,1'-biphenyl)-4,4'-diamine","c1(-c2ccc(N)cc2)ccc(N)cc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Primary aromatic amine,hydroxyl amine and its derived esters","Primary aromatic amine, hydroxyl amine and its derived esters"]
["13010-08-7","n-butyl-n'-nitro-n-nitrosoguanidine;3-butyl-1-nitro-3-nitrosoguanidine;1-butyl-3-nitro-1-nitrosoguanidine;guanidine, n-butyl-n'-nitro-n-nitroso-","C(=N)(N(CCCC)N=O)NN(=O)=O","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2","Aliphatic N-nitro group (Genotox)|Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","Aliphatic N-nitro group|Alkyl and aryl N-nitroso groups","Aliphatic N-nitro group|Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor"]
["869-01-2","n-butyl-n-nitrosourea;n-n-butyl-n-nitrosourea;1-butyl-1-nitrosourea;urea, n-butyl-n-nitroso- (9ci);869-01-2","C(N)(=O)N(CCCC)N=O","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2","Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives","Alkyl and aryl N-nitroso groups","Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor"]
["60391-92-6","carboxymethylnitrosourea;n-carboxymethyl-n-nitrosourea;[(aminocarbonyl)(nitroso)amino]acetic acid;glycine, n-(aminocarbonyl)-n-nitro- (9ci)","C(=O)(O)CN(C(N)=O)N=O","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2","Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives","Alkyl and aryl N-nitroso groups","Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor"]
["999-81-5","chlormequat;(2-chloroethyl)trimethylammonium chloride;chlormequat chloride;(2-chloroethyl)trimethyl-ammonium chloride;ethanaminium, 2-chloro-n,n,n-trimethyl-, chloride;2-chloroethyl trimethyl ammonium chloride;(2-chloroethyl)trimethylammonium chlorideammonium, (2-chloroethyl)trimethyl-, chloride;2-chloro-n,n,n-trimethylethanaminium chloride;chlormequat chloride stabilan formulation","C(Cl)CN{+}(C)(C)(C).Cl{-}","Negative",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Nitrogen Mustards","SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> Mustards","Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Aliphatic halogens","Aliphatic halogen"]
["77-92-9","citric acid;3-carboxy-3-hydroxy-pentanedioic acid;1,2,3-propanetricarboxylic acid, 2-hydroxy-;2-hydroxy-1,2,3-propanetricarboxylic acid;citric acid [usan:jan];2-hydroxypropane-1,2,3-tricarboxylic acid","C(=O)(O)C(O)(CC(=O)O)CC(=O)O","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["637-07-0","clofibrate;ethyl 2-(4-chlorophenoxy)-2-methylpropionate;propanoic acid, 2-(4-chlorophenoxy)-2-methyl-, ethyl ester;ethyl 2-(4-chlorophenoxy)-2-methylpropanoate;2-(4-chlorophenoxy)-2-methylpropanoic acid, ethyl ester;ethyl (2-(4-chlorophenoxy)-2-methylpropanoate;clofibrate (ethyl (2-(4-chlorophenoxy)-2-methylpropanoate);ethyl 2-[(4-chlorophenyl)oxy]-2-methylpropanoate;637-07-0","C(=O)(C(C)(C)Oc1ccc(Cl)cc1)OCC","Negative",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","No alert found","No alert found","Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity|Substituted phenoxyacid (Nongenotox)","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["477-30-5","demecolcin;(s)-1,2,3,10-tetramethoxy-7-methylamino-6,7-dihydro-5h-benzo[a]heptalen-9-one;colcemid;demecolcine;colcemid (ic);1,2,3,10-tetramethoxy-7-(methylamino)-6,7-dihydrobenzo[a]heptalen-9(5h)-one;(7s)-7-(methylamino)-1,2,3,10-tetrakis(methyloxy)-6,7-dihydrobenzo[a]heptalen-9(5h)-one;benzo(a)heptalen-9(5h)-one, 6,7-dihydro-1,2,3,10-tetramethoxy-7-(methylamino)-, (s)-;<i>n</i>-deacetylcolchicine;(<i>s</i>)-form, <i>n</i>-me","C12C(c3c(OC)c(OC)c(OC)cc3CCC1NC)=CC=C(OC)C(=O)C=2","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones","alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","alpha,beta-unsaturated carbonyls","1,3-dialkoxy-benzene|alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor"]
["72-55-9","dde, p,p'-;p,p'-dde;1,1'-(dichloroethenylidene)bis(4-chlorobenzene);dde;dichlorodiphenyldichloroethylene (dde);dichlorodiphenoldichloroethylene;2,2-bis(p-chlorophenyl)-1,1-dichloroethylene;1,1'-(2,2-dichloroethene-1,1-diyl)bis(4-chlorobenzene);benzene, 1,1'-(dichloroethenylidene)bis[4-chloro-;p,p''-dichlorodiphenyldichloroethylene;benzene, 1,1'-(dichloroethenylidene)bis(4-chloro- (9ci);72-55-9","c1(C(c2ccc(Cl)cc2)=C(Cl)Cl)ccc(Cl)cc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","No alert found","Halogenated PAH (naphthalenes, biphenyls, diphenyls) (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","No alert found"]
["56654-52-5","1,3-dibutyl-1-nitrosourea;1,3-dibutyl-3-nitroso urea","C(=O)(N(CCCC)N=O)NCCCC","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2","Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives","Alkyl and aryl N-nitroso groups","Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor"]
["2921-88-2","phosphorothioic acid, o,o-diethyl o-(3,5,6-trichloro-2-pyridinyl) ester;chlorpyrifos (dursban);chlorpyrifos;chlorpyrifos (dursban-technical);lorsban;o,o-diethyl-o-(3,5,6-trichloro-2-pyridyl)phosphorothiolate;o,o-diethyl o-(3,5,6-trichloropyridin-2-yl) phosphorothioate;chlorpyrifos (in pore water);o,o-diethyl o-(3,5,6-trichloropyridin-2-yl) thiophosphate;o,o-diethyl-o-(3,5,6-trichloro-2-pyridyl) phsphorothionate;2921-88-2","c1(Cl)c(Cl)cc(Cl)c(OP(=S)(OCC)OCC)n1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates","No alert found","No alert found","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates","No alert found","No alert found"]
["2921-88-2","phosphorothioic acid, o,o-diethyl o-(3,5,6-trichloro-2-pyridinyl) ester;chlorpyrifos (dursban);chlorpyrifos;chlorpyrifos (dursban-technical);lorsban;o,o-diethyl-o-(3,5,6-trichloro-2-pyridyl)phosphorothiolate;o,o-diethyl o-(3,5,6-trichloropyridin-2-yl) phosphorothioate;chlorpyrifos (in pore water);o,o-diethyl o-(3,5,6-trichloropyridin-2-yl) thiophosphate;o,o-diethyl-o-(3,5,6-trichloro-2-pyridyl) phsphorothionate;2921-88-2","c1(Cl)c(Cl)cc(Cl)c(OP(=S)(OCC)OCC)n1","Positive",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates","No alert found","No alert found","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates","No alert found","No alert found"]
["2921-88-2","phosphorothioic acid, o,o-diethyl o-(3,5,6-trichloro-2-pyridinyl) ester;chlorpyrifos (dursban);chlorpyrifos;chlorpyrifos (dursban-technical);lorsban;o,o-diethyl-o-(3,5,6-trichloro-2-pyridyl)phosphorothiolate;o,o-diethyl o-(3,5,6-trichloropyridin-2-yl) phosphorothioate;chlorpyrifos (in pore water);o,o-diethyl o-(3,5,6-trichloropyridin-2-yl) thiophosphate;o,o-diethyl-o-(3,5,6-trichloro-2-pyridyl) phsphorothionate;2921-88-2","c1(Cl)c(Cl)cc(Cl)c(OP(=S)(OCC)OCC)n1","Negative",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system hamster","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates","No alert found","No alert found","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates","No alert found","No alert found"]
["60-11-7","4-(dimethylamino)azobenzene;dimethyl-(4-phenylazo-phenyl)-amine;n,n-dimethyl-4-aminoazobenzene;4-dimethylaminoazobenzene;4-(n,n-dimethylamino)azobenzene;n,n’-dimethyl-4-aminoazobenzene [4-dimethylamino-azobenzene];benzenamine, n,n-dimethyl-4-(phenylazo)-;n,n-dimethyl-4-[(e)-phenyldiazenyl]aniline;60-11-7","c1(N=Nc2ccccc2)ccc(N(C)C)cc1","Negative",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic azo|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine","Aromatic diazo (Genotox)|Aromatic mono-and dialkylamine (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Aromatic diazo|Aromatic mono-and dialkylamine","Aromatic diazo|Aromatic mono- and dialkylamine|H-acceptor-path3-H-acceptor"]
["101-25-7","dinitrosopentamethylenetetramine;1,3,5,7-tetraazabicyclo[3.3.1]nonane, 3,7-dinitroso-;n,n-dinitrosopentamethylenetetramine;3,7-dinitroso-1,3,5,7-tetraazabicyclo[3.3.1]nonane;1,3,5,7-tetraazabicyclo 3.3.1 nonane, 3,7-dinitroso-;1,3,5,7-tetraazabicycloХ3.3.1еnonane, 3,7-dinitroso-;n,n'-dinitrosopentamethylene tetramine;1,3,5,7-tetraazabicyclo(3.3.1)nonane, 3,7-dinitroso-","C1N(N=O)CN2CN(N=O)CN1C2","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2","Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","Alkyl and aryl N-nitroso groups","Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor"]
["57-63-6","ethinylestradiol;(8r,9s,13s,14s,17r)-17-ethynyl-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6h-cyclopenta[a]phenanthrene-3,17-diol;ethinyl estradiol;ethynylestradiol;17-a-ethynylestradiol;17-alpha-ethynyl estradiol;19-norpregna-1,3,5(10)-trien-20-yne-3,17-diol, (17.alpha.)-;(17beta)-17-ethynylestra-1(10),2,4-triene-3,17-diol;(17alpha)-19-norpregna-1,3,5(10)-trien-20-yne-3,17-diol;ethynlestradiol;19-norpregna-1,3,5(10)-trien-20-yne-3,17-diol, (17alpha)-","C(#C)C1(O)C2(C)C(C3C(c4c(cc(O)cc4)CC3)CC2)CC1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","N/A","YES","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","Steroidal estrogens (nongenotoxic & genotoxic)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity","No alert found","No alert found","No alert found"]
["759-73-9","n-ethyl-n-nitrosourea;1-ethyl-1-nitrosourea;n-nitroso-n-ethylurea [n-ethyl-n-nitrosourea (enu)] [1-ethyl-1-nitrosoruea];n-ethyl-n-nitrosourea (enu);urea, n-ethyl-n-nitroso-;nitrosoethyl urea;urea, 1-ethyl-1-nitroso-;759-73-9","C(N)(=O)N(CC)N=O","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2","Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives","Alkyl and aryl N-nitroso groups","Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor"]
["100-41-4","ethylbenzene;ethyl benzene;benzene, ethyl-;100-41-4","c1(CC)ccccc1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes","No alert found","No alert found","No alert found","No alert found"]
["100-41-4","ethylbenzene;ethyl benzene;benzene, ethyl-;100-41-4","c1(CC)ccccc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes","No alert found","No alert found","No alert found","No alert found"]
["100-41-4","ethylbenzene;ethyl benzene;benzene, ethyl-;100-41-4","c1(CC)ccccc1","Negative",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes","No alert found","No alert found","No alert found","No alert found"]
["50-00-0","formaldehyde;formaldehyde [bsi:iso];methanal;formalin;formaldehyde (act. 37%);formaldehyde/isopropanol incubator fumigant;formaldehyde surflo formulation;formaldehyde mixture(surf flo b17);formaldehyde (surflo b315)","C=O","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","Schiff base formers|Schiff base formers >> Direct Acting Schiff Base Formers|Schiff base formers >> Direct Acting Schiff Base Formers >> Mono aldehydes","No alert found","No alert found","No alert found","No alert found"]
["50-00-0","formaldehyde;formaldehyde [bsi:iso];methanal;formalin;formaldehyde (act. 37%);formaldehyde/isopropanol incubator fumigant;formaldehyde surflo formulation;formaldehyde mixture(surf flo b17);formaldehyde (surflo b315)","C=O","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","Schiff base formers|Schiff base formers >> Direct Acting Schiff Base Formers|Schiff base formers >> Direct Acting Schiff Base Formers >> Mono aldehydes","No alert found","No alert found","No alert found","No alert found"]
["149-91-7","gallic acid;3,4,5-trihydroxy-benzoic acid;benzoic acid, 3,4,5-trihydroxy-;3,4,5-trihydroxybenzoic acid","C(=O)(O)c1cc(O)c(O)c(O)c1","Negative",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["149-91-7","gallic acid;3,4,5-trihydroxy-benzoic acid;benzoic acid, 3,4,5-trihydroxy-;3,4,5-trihydroxybenzoic acid","C(=O)(O)c1cc(O)c(O)c(O)c1","Positive",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system hamster","No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["765-34-4","glycidaldehyde;glycidylaldehyde;2,3-epoxypropionaldehyde;oxirane-2-carbaldehyde","C(=O)C1CO1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines","Schiff base formers|Schiff base formers >> Direct Acting Schiff Base Formers|Schiff base formers >> Direct Acting Schiff Base Formers >> Mono aldehydes|SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides","Epoxides and aziridines (Genotox)|Simple aldehyde (Genotox)|Structural alert for genotoxic carcinogenicity","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines","Epoxides and aziridines|Simple aldehyde","Epoxides and aziridines|H-acceptor-path3-H-acceptor|Simple aldehyde"]
["2353-45-9","fast green fcf;food green no. 3 (pure)","c1(C(c2c(S(=O)(=O)O)cc(O)cc2)=C2C=CC(=N(Cc3cc(S(=O)(=O)O)ccc3)CC)C=C2)ccc(N(Cc2cc(S(=O)(=O)O)ccc2)CC)cc1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality, Conflict","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["2353-45-9","fast green fcf;food green no. 3 (pure)","c1(C(c2c(S(=O)(=O)O)cc(O)cc2)=C2C=CC(=N(Cc3cc(S(=O)(=O)O)ccc3)CC)C=C2)ccc(N(Cc2cc(S(=O)(=O)O)ccc2)CC)cc1","Negative",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality, Conflict","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["87-68-3","hexachlorobutadiene;hexachloro-1,3-butadiene;1,3-butadiene, 1,1,2,3,4,4-hexachloro-;hexachlorobuta-1,3-diene;butadiene, hexachloro-;1,1,2,3,4,4-hexachlorobuta-1,3-diene","C(Cl)(C(Cl)=C(Cl)Cl)=C(Cl)Cl","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives","No alert found","Structural alert for nongenotoxic carcinogenicity|Trichloro (or fluoro) ethylene and Tetrachloro (or fluoro) ethylene (Nongenotox)","SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives","No alert found","No alert found"]
["87-68-3","hexachlorobutadiene;hexachloro-1,3-butadiene;1,3-butadiene, 1,1,2,3,4,4-hexachloro-;hexachlorobuta-1,3-diene;butadiene, hexachloro-;1,1,2,3,4,4-hexachlorobuta-1,3-diene","C(Cl)(C(Cl)=C(Cl)Cl)=C(Cl)Cl","Positive",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives","No alert found","Structural alert for nongenotoxic carcinogenicity|Trichloro (or fluoro) ethylene and Tetrachloro (or fluoro) ethylene (Nongenotox)","SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives","No alert found","No alert found"]
["53-86-1","indomethacin;[1-(4-chloro-benzoyl)-5-methoxy-2-methyl-1h-indol-3-yl]-acetic acid;indomethancin;indometacin;1h-indole-3-acetic acid, 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-;{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl-1h-indol-3-yl}acetic acid;1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1h-indole-3-acetic acid;[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1h-indol-3-yl]acetic acid","C1(CC(=O)O)c2c(ccc(OC)c2)N(C(=O)c2ccc(Cl)cc2)C=1C","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> 5-alkoxyindoles","Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["74-83-9","methyl bromide;methane, bromo-;bromomethane;methane, bromo-\"\"\";methyl bromide [bsi:iso];bromomethane(methyl bromide iso);methane, bromo-\";74-83-9","CBr","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Monohaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Monohaloalkanes|SN2 >> Ring opening SN2 reaction|SN2 >> Ring opening SN2 reaction >> Monohaloalkanes","SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides","Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Monohaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Monohaloalkanes|SN2 >> Ring opening SN2 reaction|SN2 >> Ring opening SN2 reaction >> Monohaloalkanes","Aliphatic halogens","Aliphatic halogen"]
["55-80-1","3'-methyl-4-(dimethylamino)azobenzene;dimethyl-(4-m-tolylazo-phenyl)-amine;3'-methyl-4-dimethylaminoazobenzene;4-dimethylamino-3'-methylazobenzene;aniline, n,n-dimethyl-p-(m-tolylazo)-;n,n-dimethyl-4-(m-tolylazo)aniline;benzenamine, n,n-dimethyl-4- (3-methylphenyl)azo -;benzenamine, n,n-dimethyl-4-((3-methylphenyl)azo)-\"\"\";benzenamine, n,n-dimethyl-4-[(3-methylphenyl)azo]-;n,n-dimethyl-4-[(3-methylphenyl)diazenyl]aniline;n,n-dimethyl-4-[(e)-(3-methylphenyl)diazenyl]aniline;benzenamine, n,n-dimethyl-4-((3-methylphenyl)azo)-;55-80-1","c1(N=Nc2ccc(N(C)C)cc2)cc(C)ccc1","Positive",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","No alert found","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic azo|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine","Aromatic diazo (Genotox)|Aromatic mono-and dialkylamine (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Aromatic diazo|Aromatic mono-and dialkylamine","Aromatic diazo|Aromatic mono- and dialkylamine|H-acceptor-path3-H-acceptor"]
["55-80-1","3'-methyl-4-(dimethylamino)azobenzene;dimethyl-(4-m-tolylazo-phenyl)-amine;3'-methyl-4-dimethylaminoazobenzene;4-dimethylamino-3'-methylazobenzene;aniline, n,n-dimethyl-p-(m-tolylazo)-;n,n-dimethyl-4-(m-tolylazo)aniline;benzenamine, n,n-dimethyl-4- (3-methylphenyl)azo -;benzenamine, n,n-dimethyl-4-((3-methylphenyl)azo)-\"\"\";benzenamine, n,n-dimethyl-4-[(3-methylphenyl)azo]-;n,n-dimethyl-4-[(3-methylphenyl)diazenyl]aniline;n,n-dimethyl-4-[(e)-(3-methylphenyl)diazenyl]aniline;benzenamine, n,n-dimethyl-4-((3-methylphenyl)azo)-;55-80-1","c1(N=Nc2ccc(N(C)C)cc2)cc(C)ccc1","Negative",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system hamster","No alert found","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic azo|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine","Aromatic diazo (Genotox)|Aromatic mono-and dialkylamine (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Aromatic diazo|Aromatic mono-and dialkylamine","Aromatic diazo|Aromatic mono- and dialkylamine|H-acceptor-path3-H-acceptor"]
["56-49-5","3-methylcholanthrene;3-methylcholanthrene (mca);benz[j]aceanthrylene, 1,2-dihydro-3-methyl-;3-methyl-1,2-dihydrocyclopenta[ij]tetraphene;1,2-dihydro-3-methylbenz[j]aceanthrylene;benz(j)aceanthrylene, 1,2-dihydro-3-methyl-","c12c(c3c(c4c5c(c(C)ccc5c3)CC4)cc1)cccc2","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1","Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons"]
["101-14-4","benzenamine, 4,4'-methylenebis[2-chloro-;3,3'-dichloro-4,4'-diaminodiphenylmethane;4,4'-methylenebis(2-chloroaniline);4,4'-methylene-bis(2-chloroaniline);benzenamine, 4,4-methylenebis[2-chloro-;4,4'-methylenebis(2-chlorobenzenamine);4,4'-methylenebis[2-chloroaniline];benzenamine, 4,4’-methylenebis[2-chloro-;benzenamine, 4,4'-methylenebis 2-chloro-;aniline, 4,4'-methylenebisХ2-chloro-;benzenamine, 4,4'-methylenebisХ2-chloro-;methylenebis(chloroaniline);4,4´-methylenebis(2-chloroaniline);3,3''-dichloro-4,4''-diaminodiphenylmethane;aniline, 4,4'-methylenebis(2-chloro- (8ci);101-14-4","c1(N)c(Cl)cc(Cc2cc(Cl)c(N)cc2)cc1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","Primary aromatic amine,hydroxyl amine and its derived esters","Primary aromatic amine, hydroxyl amine and its derived esters"]
["101-14-4","benzenamine, 4,4'-methylenebis[2-chloro-;3,3'-dichloro-4,4'-diaminodiphenylmethane;4,4'-methylenebis(2-chloroaniline);4,4'-methylene-bis(2-chloroaniline);benzenamine, 4,4-methylenebis[2-chloro-;4,4'-methylenebis(2-chlorobenzenamine);4,4'-methylenebis[2-chloroaniline];benzenamine, 4,4’-methylenebis[2-chloro-;benzenamine, 4,4'-methylenebis 2-chloro-;aniline, 4,4'-methylenebisХ2-chloro-;benzenamine, 4,4'-methylenebisХ2-chloro-;methylenebis(chloroaniline);4,4´-methylenebis(2-chloroaniline);3,3''-dichloro-4,4''-diaminodiphenylmethane;aniline, 4,4'-methylenebis(2-chloro- (8ci);101-14-4","c1(N)c(Cl)cc(Cc2cc(Cl)c(N)cc2)cc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","Primary aromatic amine,hydroxyl amine and its derived esters","Primary aromatic amine, hydroxyl amine and its derived esters"]
["101-14-4","benzenamine, 4,4'-methylenebis[2-chloro-;3,3'-dichloro-4,4'-diaminodiphenylmethane;4,4'-methylenebis(2-chloroaniline);4,4'-methylene-bis(2-chloroaniline);benzenamine, 4,4-methylenebis[2-chloro-;4,4'-methylenebis(2-chlorobenzenamine);4,4'-methylenebis[2-chloroaniline];benzenamine, 4,4’-methylenebis[2-chloro-;benzenamine, 4,4'-methylenebis 2-chloro-;aniline, 4,4'-methylenebisХ2-chloro-;benzenamine, 4,4'-methylenebisХ2-chloro-;methylenebis(chloroaniline);4,4´-methylenebis(2-chloroaniline);3,3''-dichloro-4,4''-diaminodiphenylmethane;aniline, 4,4'-methylenebis(2-chloro- (8ci);101-14-4","c1(N)c(Cl)cc(Cc2cc(Cl)c(N)cc2)cc1","Negative",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system hamster","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","Primary aromatic amine,hydroxyl amine and its derived esters","Primary aromatic amine, hydroxyl amine and its derived esters"]
["471-29-4","methylguanidine;n-methylguanidine;1-methylguanidine","C(=N)(N)NC","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["611-32-5","8-methylquinoline;8-methyl-quinoline;quinoline, 8-methyl-","c1(C)c2c(cccn2)ccc1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["50-07-7","mitomycin-c;mitomycin c;mitomycin;azirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione, 6-amino-8-[[(aminocarbonyl)oxy]methyl]-1,1a,2,8,8a,8b-hexahydro-8a-methoxy-5-methyl-, (1as,8s,8ar,8bs)-;[(1as,8s,8ar,8bs)-6-amino-8a-methoxy-5-methyl-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-8-yl]methyl carbamate;azirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione, 6-amino-8-[[(aminocarbonyl)oxy]methyl]-1,1a,2,8,8a,8b-hexahydro-8a-methoxy-5-methyl-, [1as-(1a.alpha.,8.beta.,8a.alpha.,8b.alpha.)]-;[1ar-(1a alpha, 8 beta, 8a alpha, 8b alpha])-6-amino-8-[[(aminocarbonyl)oxy]methyl]-1,1a, 2,8,8a,8b-hexahydro-8a-methoxy-5-methylazirinol[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione;azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, 6-amino-8-(((aminocarbonyl)oxy)methyl)-1,1a,2,8,8a,8b-hexahydro-8a-methoxy-5-methyl-, (1as,8s,8ar,8bs)-;50-07-7","C12C(=O)C(C)=C(N)C(=O)C=1C(COC(N)=O)C1(OC)C3C(CN21)N3","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines","SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines|SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Aziridines","Alkyl carbamate and thiocarbamate (Genotox)|Epoxides and aziridines (Genotox)|Quinones (Genotox)|Structural alert for genotoxic carcinogenicity","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones|SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines","Alkyl carbamate and thiocarbamate|Epoxides and aziridines|Quinones","Alkyl carbamate and thiocarbamate|Epoxides and aziridines|H-acceptor-path3-H-acceptor|Quinones"]
["50-07-7","mitomycin-c;mitomycin c;mitomycin;azirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione, 6-amino-8-[[(aminocarbonyl)oxy]methyl]-1,1a,2,8,8a,8b-hexahydro-8a-methoxy-5-methyl-, (1as,8s,8ar,8bs)-;[(1as,8s,8ar,8bs)-6-amino-8a-methoxy-5-methyl-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-8-yl]methyl carbamate;azirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione, 6-amino-8-[[(aminocarbonyl)oxy]methyl]-1,1a,2,8,8a,8b-hexahydro-8a-methoxy-5-methyl-, [1as-(1a.alpha.,8.beta.,8a.alpha.,8b.alpha.)]-;[1ar-(1a alpha, 8 beta, 8a alpha, 8b alpha])-6-amino-8-[[(aminocarbonyl)oxy]methyl]-1,1a, 2,8,8a,8b-hexahydro-8a-methoxy-5-methylazirinol[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione;azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, 6-amino-8-(((aminocarbonyl)oxy)methyl)-1,1a,2,8,8a,8b-hexahydro-8a-methoxy-5-methyl-, (1as,8s,8ar,8bs)-;50-07-7","C12C(=O)C(C)=C(N)C(=O)C=1C(COC(N)=O)C1(OC)C3C(CN21)N3","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines","SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines|SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Aziridines","Alkyl carbamate and thiocarbamate (Genotox)|Epoxides and aziridines (Genotox)|Quinones (Genotox)|Structural alert for genotoxic carcinogenicity","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones|SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines","Alkyl carbamate and thiocarbamate|Epoxides and aziridines|Quinones","Alkyl carbamate and thiocarbamate|Epoxides and aziridines|H-acceptor-path3-H-acceptor|Quinones"]
["54-11-5","nicotine;3-(1-methyl-pyrrolidin-2-yl)-pyridine;pyridine, 3-(1-methyl-2-pyrrolidinyl)-, (s)-;pyridine, 3-[(2s)-1-methyl-2-pyrrolidinyl]-;3-[(2s)-1-methylpyrrolidin-2-yl]pyridine;nicotineanditssalts;(s)-3-(1-methyl-2-pyrrolidinyl)pyridine;pyridine, 3-(1-methyl-2-pyrrolidinyl)-, (s)- (9ci);54-11-5;(<i>s</i>)-form","c1(C2CCCN2C)cccnc1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","No alert found","No alert found","No alert found","No alert found"]
["51-75-2","nitrogen mustard;mechlorethamine;chlormethine;2-chloro-n-(2-chloroethyl)-n-methylethanamine;ethanamine, 2-chloro-n-(2-chloroethyl)-n-methyl-;chlormethine(inn) anditssalts;51-75-2","C(Cl)CN(C)CCCl","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Nitrogen Mustards","SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines|SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> Mustards","S or N mustard (Genotox)|Structural alert for genotoxic carcinogenicity","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Nitrogen Mustards","S or N mustard","S or N mustard"]
["5522-43-0","1-nitropyrene;pyrene, 1-nitro-","c12c3c4c(c(N(=O)=O)ccc4ccc3ccc1)cc2","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro","Nitro-aromatic (Genotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","Nitro-aromatic|Polycyclic Aromatic Hydrocarbons","Nitro-aromatic|Polycyclic Aromatic Hydrocarbons"]
["613-50-3","6-nitroquinoline;quinoline, 6-nitro-","c12c(cc(N(=O)=O)cc1)cccn2","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro","Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","Nitro-aromatic","Nitro-aromatic"]
["760-60-1","n-nitroso-n-isobutylurea;urea, n-(2-methylpropyl)-n-nitroso-;1-(2-methylpropyl)-1-nitrosourea","C(N)(=O)N(CC(C)C)N=O","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2","Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives","Alkyl and aryl N-nitroso groups","Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor"]
["64005-62-5","nitrosoamylurethane;n-amyl-n-nitrosourethane;ethyl nitroso(pentyl)carbamate","C(=O)(N(CCCCC)N=O)OCC","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2","Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","Alkyl and aryl N-nitroso groups","Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor"]
["1116-54-7","diethanolamine;n-nitrosodiethanolamine;2,2'-(nitrosoimino)bisethanol;ethanol, 2,2'-(nitrosoimino)bis-;ethanol, 2,2'-nitrosiminodi-;nitrosodipropylamine;2,2'-(nitrosoimino)diethanol;nitrosaminese.g.dimethylnitrosoamine;2,2'nitrosoimino)bisethanol;2,2'-nitrosiminodiethanol;n-nitrosodiethylanolamine;1116-54-7;<i>n</i>-nitroso","C(O)CN(CCO)N=O","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2","Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","Alkyl and aryl N-nitroso groups","Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor"]
["1116-54-7","diethanolamine;n-nitrosodiethanolamine;2,2'-(nitrosoimino)bisethanol;ethanol, 2,2'-(nitrosoimino)bis-;ethanol, 2,2'-nitrosiminodi-;nitrosodipropylamine;2,2'-(nitrosoimino)diethanol;nitrosaminese.g.dimethylnitrosoamine;2,2'nitrosoimino)bisethanol;2,2'-nitrosiminodiethanol;n-nitrosodiethylanolamine;1116-54-7;<i>n</i>-nitroso","C(O)CN(CCO)N=O","Positive",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system hamster","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2","Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","Alkyl and aryl N-nitroso groups","Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor"]
["55-18-5","n-nitrosodiethylamine;n,n-diethylnitrosamine;n-nitrosodiethylamine [diethyl nitrosamine];diethylnitrosoamine;ethanamine, n-ethyl-n-nitroso-;diethylnitrosamine;n-ethyl-n-nitrosoethanamine;55-18-5","C(C)N(CC)N=O","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2","Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","Alkyl and aryl N-nitroso groups","Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor"]
["621-64-7","n,n-dipropylnitrosamine;n-nitrosodipropylamine;n-nitroso(di-n-propyl)amine;nitrosodipropylamine;1-propanamine, n-nitroso-n-propyl-;n-nitroso-n-propylpropan-1-amine;nitrosaminese.g.dimethylnitrosoamine;2,2'nitrosoimino)bisethanol;n-nitroso-n-propyl-1-propanamine","C(CC)N(CCC)N=O","Positive",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2","Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","Alkyl and aryl N-nitroso groups","Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor"]
["621-64-7","n,n-dipropylnitrosamine;n-nitrosodipropylamine;n-nitroso(di-n-propyl)amine;nitrosodipropylamine;1-propanamine, n-nitroso-n-propyl-;n-nitroso-n-propylpropan-1-amine;nitrosaminese.g.dimethylnitrosoamine;2,2'nitrosoimino)bisethanol;n-nitroso-n-propyl-1-propanamine","C(CC)N(CCC)N=O","Negative",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system hamster","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2","Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","Alkyl and aryl N-nitroso groups","Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor"]
["614-95-9","nitrosoethylurethane;ethylnitrosocarbamic acid, ethyl ester;ethyl ethyl(nitroso)carbamate;carbamic acid, ethylnitroso-, ethyl ester","C(=O)(N(CC)N=O)OCC","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2","Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","Alkyl and aryl N-nitroso groups","Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor"]
["13752-51-7","n-oxydiethylene thiocarbamyl- n-oxydiethylene sulfenamide;n-oxydiethylene thiocarbamyl-n'-oxydiethylene sulfenamide;morpholine, 4-[(4-morpholinylthio)thioxomethyl]-;morpholine, 4- (4-morpholinylthio)thioxomethyl -;morpholine, 4-Õ(morpholinothiocarbonyl)thioå-;morpholine, 4-Õ(4-morpholinylthio)thioxomethylå-\"\"\";4-[(morpholinothio)thioxomethyl]morpholine;morpholine, 4-Х(morpholinothiocarbonyl)thioе-;morpholine, 4-Х(4-morpholinylthio)thioxomethylе-;4-[(morpholin-4-ylcarbonothioyl)sulfanyl]morpholine;morpholin-4-yl morpholine-4-carbodithioate;4-[(morpholin-4-ylcarbonothioyl)thio]morpholine","C(=S)(N1CCOCC1)SN1CCOCC1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","Structural alert for nongenotoxic carcinogenicity|Thiocarbonyl (Nongenotox)","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["87-86-5","phenol, 2,3,4,5,6-pentachloro-;pentachlorophenol;pentachlorophenate;2,3,4,5,6-pentachloro-phenol;2,3,4,5,6-pentachlorophenol;2,3,4,5,6-pentachlorophenol, technical grade;2,3,4,5,6-pentachlorophenol (dowicide ec-7);pentachloro-phenol;phenol, pentachloro-;pentachlorophenol, dowicide ec-7;pentachlorophenol, technical;pentachlotophenol (pcp);pentachlorophenolanditsalkalisalts;pentachlorophenol/tetrachlorophenol;pentachlorophenol/petroleum hydrocarbon mix;pentachlorophenol (pcp);87-86-5","c1(Cl)c(Cl)c(Cl)c(Cl)c(Cl)c1O","Positive",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","No alert found","No alert found","Pentachloro phenol (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","No alert found"]
["13010-10-1","n-pentyl-n'-nitro-n-nitrosoguanidine;n'-nitro-n-pentyl-n-nitrosoguanidine;3-nitro-1-nitroso-1-pentylguanidine;guanidine, n'-nitro-n-nitroso-n-pentyl- (9ci)","C(=N)(N(CCCCC)N=O)NN(=O)=O","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2","Aliphatic N-nitro group (Genotox)|Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","Aliphatic N-nitro group|Alkyl and aryl N-nitroso groups","Aliphatic N-nitro group|Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor"]
["106-50-3","1,4-benzenediamine;1,4-phenylenediamine (4-aminoaniline);p-phenylenediamine;p-phenylenediamine dihydrochloride;benzene-1,4-diamine;paraphenylenediamine;4-amino-aniline;4-phenylenediamine;1,4-phenylenediamine;para-phenylenediamine","c1(N)ccc(N)cc1","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","Primary aromatic amine,hydroxyl amine and its derived esters","Primary aromatic amine, hydroxyl amine and its derived esters"]
["106-50-3","1,4-benzenediamine;1,4-phenylenediamine (4-aminoaniline);p-phenylenediamine;p-phenylenediamine dihydrochloride;benzene-1,4-diamine;paraphenylenediamine;4-amino-aniline;4-phenylenediamine;1,4-phenylenediamine;para-phenylenediamine","c1(N)ccc(N)cc1","Positive",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","Primary aromatic amine,hydroxyl amine and its derived esters","Primary aromatic amine, hydroxyl amine and its derived esters"]
["122-60-1","phenylglycidyl ether;phenyl glycidyl ether;oxirane, 2-(phenoxymethyl)-;phenyl glydidyl ether;1-phenoxy-2,3-epoxypropane;oxirane, (phenoxymethyl)-;propane, 1,2-epoxy-3-phenoxy-\"\"\";2,3-epoxypropyl phenyl ether;propane, 1,2-epoxy-3-phenoxy-;2-(phenoxymethyl)oxirane;1,2epoxy3phenoxypropane (phenylglycidylether);phenylglycidil ether;propane, 1,2-epoxy-3-phenoxy-\";122-60-1","c1(OCC2CO2)ccccc1","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines","SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides","Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines","Epoxides and aziridines","Epoxides and aziridines|H-acceptor-path3-H-acceptor"]
["122-60-1","phenylglycidyl ether;phenyl glycidyl ether;oxirane, 2-(phenoxymethyl)-;phenyl glydidyl ether;1-phenoxy-2,3-epoxypropane;oxirane, (phenoxymethyl)-;propane, 1,2-epoxy-3-phenoxy-\"\"\";2,3-epoxypropyl phenyl ether;propane, 1,2-epoxy-3-phenoxy-;2-(phenoxymethyl)oxirane;1,2epoxy3phenoxypropane (phenylglycidylether);phenylglycidil ether;propane, 1,2-epoxy-3-phenoxy-\";122-60-1","c1(OCC2CO2)ccccc1","Negative",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines","SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides","Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines","Epoxides and aziridines","Epoxides and aziridines|H-acceptor-path3-H-acceptor"]
["122-60-1","phenylglycidyl ether;phenyl glycidyl ether;oxirane, 2-(phenoxymethyl)-;phenyl glydidyl ether;1-phenoxy-2,3-epoxypropane;oxirane, (phenoxymethyl)-;propane, 1,2-epoxy-3-phenoxy-\"\"\";2,3-epoxypropyl phenyl ether;propane, 1,2-epoxy-3-phenoxy-;2-(phenoxymethyl)oxirane;1,2epoxy3phenoxypropane (phenylglycidylether);phenylglycidil ether;propane, 1,2-epoxy-3-phenoxy-\";122-60-1","c1(OCC2CO2)ccccc1","Positive",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system hamster","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines","SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides","Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines","Epoxides and aziridines","Epoxides and aziridines|H-acceptor-path3-H-acceptor"]
["1120-71-4","1,3-propane sultone;1,2-oxathiolane, 2,2-dioxide;propane sultone;2,2-dioxide-1,2-oxathiolane;1,3-propanesultone;1-propanesulfonic acid, 3-hydroxy-, .gamma.-sultone;1,2-oxathiolane 2,2-dioxide;1,3propanesultone","C1CCOS1(=O)=O","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"SN2|SN2 >> Ring opening SN2 reaction|SN2 >> Ring opening SN2 reaction >> Sultones|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Sulfonates and Sulfates","SN2|SN2 >> Ring opening SN2 Reaction|SN2 >> Ring opening SN2 Reaction >> Sultones","Propiolactones or propiosultones (Genotox)|Structural alert for genotoxic carcinogenicity","SN2|SN2 >> Ring opening SN2 reaction|SN2 >> Ring opening SN2 reaction >> Sultones|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Sulfonates and Sulfates","Propiolactones or propiosultones","H-acceptor-path3-H-acceptor|Propiolactones or propiosultones"]
["13010-07-6","n-propyl-n'-nitro-n-nitrosoguanidine;n'-nitro-n-nitroso-n-propylguanidine;3-nitro-1-nitroso-1-propylguanidine;guanidine, n'-nitro-n-nitroso-n-propyl- (9ci)","C(=N)(N(CCC)N=O)NN(=O)=O","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2","Aliphatic N-nitro group (Genotox)|Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","Aliphatic N-nitro group|Alkyl and aryl N-nitroso groups","Aliphatic N-nitro group|Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor"]
["816-57-9","n-propyl-n-nitrosourea;1-propyl-1-nitrosourea;propylnitrosourea;1-propyl-nitrosourea;1-nitroso-1-propylurea;urea, 1-nitroso-1-propyl- (8ci);816-57-9","C(N)(=O)N(CCC)N=O","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2","Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives","Alkyl and aryl N-nitroso groups","Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor"]
["2611-82-7","ponceau 4r;sx purple;acid red 18;c.i. acid red 18, trisodium salt;1,3-naphthalenedisulfonic acid, 7-hydroxy-8-Õ(4-sulfo-1-naphthalenyl)azoå-, trisodium salt;\"\"c.i. acid red 18, trisodium salt;1,3-naphthalenedisulfonic acid, 7-hydroxy-8-Õ(4-sulfo-1-naphthalenyl)azoå-, trisodium salt\"\"\";1,3-naphthalenedisulfonic acid, 7-hydroxy-8-[(4-sulfo-1-naphthalenyl)azo]-, trisodium salt;trisodium 7-hydroxy-8-[(z)-(4-sulfonatonaphthalen-1-yl)diazenyl]naphthalene-1,3-disulfonate","c1(O)c(N=Nc2c3c(c(S(=O)(=O)O)cc2)cccc3)c2c(S(=O)(=O)O)cc(S(=O)(=O)O)cc2cc1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Moderate Quality, Conflict","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["6459-94-5","8-{3,3'-dimethyl-4'-[4-(toluene-4-sulfonyloxy)-phenylazo]-biphenyl-4-ylazo}-7-hydroxy-naphthalene-1,3-disulfonic acid;1,3-naphthalenedisulfonic acid, 8-[[3,3’-dimethyl-4’-[[4-[[(4-methylphenyl)sulfonyl]oxy]phenyl]azo][1,1’-biphenyl]-4-yl]azo]-7-hydroxy-, disodium salt;disodium 8-[(z)-{3,3'-dimethyl-4'-[(z)-(4-{[(4-methylphenyl)sulfonyl]oxy}phenyl)diazenyl]biphenyl-4-yl}diazenyl]-7-hydroxynaphthalene-1,3-disulfonate","c1(-c2cc(C)c(N=Nc3c4c(S(=O)(=O)O)cc(S(=O)(=O)O)cc4ccc3O)cc2)cc(C)c(N=Nc2ccc(OS(=O)(=O)c3ccc(C)cc3)cc2)cc1","Negative",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality, Conflict","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic azo","Aromatic diazo (Genotox)|Benzenesulfonic ethers, methylation (Nongenotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity","No alert found","Aromatic diazo","Aromatic diazo|H-acceptor-path3-H-acceptor"]
["127-47-9","vitamin a acetate;retinol acetate;retinol;retinol, acetate, all-trans-;retinol, acetate\"\"\";retinol, acetate;o~15~-acetylretinol;retinol, acetate, all-trans- (8ci);ac","C1(C)(C)C(C=CC(C)=CC=CC(C)=CCOC(C)=O)=C(C)CCC1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality, Conflict","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Specific Acetate Esters|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Specific Acetate Esters|SN2|SN2 >> Acylating agents|SN2 >> Acylating agents >> Specific Acetate Esters|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Specific Acetate Esters","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["153-18-4","rutin;2-(3,4-dihydroxy-phenyl)-5,7-dihydroxy-3-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-((2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yloxymethyl)-tetrahydro-pyran-2-yloxy]-chromen-4-one;rutin sulfate;rutin trihydrate;4h-1-benzopyran-4-one, 3-  6-o-(6-deoxy-.alpha.-l-mannopyranosyl)-.beta.-d-glucopyranosyl oxy -2-(3,4-dihydroxyphenyl);chemname;4h-1-benzopyran-4-one, 3-ÕÕ6-o-(6-deoxy-.alpha.-l-mannopyranosyl)-.beta.-d-glucopyranosylåoxyå-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-;ilixanthinflavone, 3,3',4',5,5',7-hexahy;rutoside;4h-1-benzopyran-4-one, 3-[[6-o-(6-deoxy-.alpha.-l-mannopyranosyl)-.beta.-d-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-;2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4h-chromen-3-yl 6-o-(6-deoxy-alpha-l-mannopyranosyl)-beta-d-glucopyranoside;4h-1-benzopyran-4-one, 3-ХХ6-o-(6-deoxy-.alpha.-l-mannopyranosyl)-.beta.-d-glucopyranosylеoxyе-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-;ilixanthinflavone, 3,3',4',5,5',7-hexahydroxy-, (6-o-.alpha.-l-rhamnosyl-.beta.-d-glucoside);3-[[6-o-(6-deoxy-alpha-l-mannopyranosyl)-beta-d-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4h-1-benzopyran-4-one;2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4h-chromen-3-yl 6-o-(6-deoxy-alpha-l-mannopyranosyl)-beta-d-mannopyranoside","C1(OC2C(O)C(O)C(O)C(COC3C(O)C(O)C(O)C(C)O3)O2)C(=O)c2c(O)cc(O)cc2OC=1c1cc(O)c(O)cc1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones","Quercetin type flavonoids (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["1746-01-6","tetrachlorodibenzo-p-dioxin, 2,3,7,8-;2,3,7,8-tetrachlorodibenzo-p-dioxin;2,3,7,8-tcdd;2,3,7,8-tetrachlorodibenzo[b,e][1,4]dioxin;2,3,7,8-tecdd;2,3,7,8-tetrachloro-dibenzodioxin;tetrachlorodibenzodioxin;2,3,7,8-tetrachlorodibenzo-p-dioxin (tcdd);2,3,7,8-tetrachlorooxanthrene;2,3,7,8tetrachlorodibenzopdioxin(tcdd);tcdd;dibenzo(b,e)(1,4)dioxin, 2,3,7,8-tetrachloro-;1746-01-6","c1(Cl)c(Cl)cc2c(c1)Oc1c(cc(Cl)c(Cl)c1)O2","Negative",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","No alert found","Halogenated dibenzodioxins (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","1-phenoxy-benzene|H-acceptor-path3-H-acceptor"]
["148-79-8","thiabendazole;2-thiazol-4-yl-1h-benzoimidazole;thiabendazol;2-(4-thiazolyl)-benzimazole;1h-benzimidazole, 2-(4-thiazolyl)-;2-(1,3-thiazol-4-yl)-1h-benzimidazole;2-(4-thiazolyl)-1h-benzimidazole;148-79-8","C1(C2=CSC=N2)=Nc2c(cccc2)N1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","Imidazole, benzimidazole (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["79-01-6","ethene, 1,1,2-trichloro-;trichloroethylene;trichloroethene;1,1,2-trichloroethylene;trichloroethylene (without epichlorohydrin);ethene, trichloro-;trichloroethylene, 1,1,2-;trichloroethene (aka trichloroethylene);ethylene, trichloro-;1,1,2-trichloroethene;trichloroethylene,","C(Cl)(Cl)=CCl","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","Structural alert for nongenotoxic carcinogenicity|Trichloro (or fluoro) ethylene and Tetrachloro (or fluoro) ethylene (Nongenotox)","No alert found","No alert found","No alert found"]
["79-01-6","ethene, 1,1,2-trichloro-;trichloroethylene;trichloroethene;1,1,2-trichloroethylene;trichloroethylene (without epichlorohydrin);ethene, trichloro-;trichloroethylene, 1,1,2-;trichloroethene (aka trichloroethylene);ethylene, trichloro-;1,1,2-trichloroethene;trichloroethylene,","C(Cl)(Cl)=CCl","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","No alert found","Structural alert for nongenotoxic carcinogenicity|Trichloro (or fluoro) ethylene and Tetrachloro (or fluoro) ethylene (Nongenotox)","No alert found","No alert found","No alert found"]
["79-01-6","ethene, 1,1,2-trichloro-;trichloroethylene;trichloroethene;1,1,2-trichloroethylene;trichloroethylene (without epichlorohydrin);ethene, trichloro-;trichloroethylene, 1,1,2-;trichloroethene (aka trichloroethylene);ethylene, trichloro-;1,1,2-trichloroethene;trichloroethylene,","C(Cl)(Cl)=CCl","Negative",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","No alert found","No alert found","Structural alert for nongenotoxic carcinogenicity|Trichloro (or fluoro) ethylene and Tetrachloro (or fluoro) ethylene (Nongenotox)","No alert found","No alert found","No alert found"]
["52-68-6","trichlorfon;trichlorophone;phosphonic acid, (2,2,2-trichloro-1-hydroxyethyl)-, dimethyl ester;trichlorfon [usan];dimethyl (2,2,2-trichloro-1-hydroxyethyl)phosphonate;p-(2,2,2-trichloro-1-hydroxyethyl)phosphonic acid dimethyl ester;trichlorofon;trichlorfon - dylox;trichlorfon snail away formulation;2,2,2-trichloro-1-hydroxyethyl phosphonic acid, dimethyl ester;52-68-6","C(Cl)(Cl)(Cl)C(O)P(=O)(OC)OC","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates","No alert found","Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid (Genotox)|Structural alert for genotoxic carcinogenicity","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates","Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid","Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid|H-acceptor-path3-H-acceptor"]
["58-89-9","g-hexachlorocyclohexane (lindane);lindane;gamma-hexachlorocyclohexane;bhc;gamma-1,2,3,4,5,6-hexachlorocyclohexane;lindane (gama-hch);cyclohexane, 1,2,3,4,5,6-hexachloro-, (1a,2a,3b,4a,5a,6b)-;g-hch;gamma-hexachlorocycohexane;hexachlorocyclohexane, gamma-;?-hch or ?-bhc;cyclohexane, 1,2,3,4,5,6-hexachloro-, (1?,2?,3?,4?,5?,6?)-;cyclohexane, 1,2,3,4,5,6-hexachloro-, (1.alpha.,2.alpha.,3.beta.,4.alpha.,5.alpha.,6.beta.)-;gamma-hch or gamma-bhc;cyclohexane, 1,2,3,4,5,6-hexachloro-, .gamma.-;lindane [usan:ban:inn];(1r,2s,3r,4r,5s,6r)-1,2,3,4,5,6-hexachlorocyclohexane;1,2,3,4,5,6hexachlorocyclohexane(bhciso);(1alpha,2alpha,3beta,4alpha,5alpha,6beta)-1,2,3,4,5,6-hexachlorocyclohexane;(1r,2r,3s,4r,5r,6s)-1,2,3,4,5,6-hexachlorocyclohexane;gamma-hch;cyclohexane, 1,2,3,4,5,6-hexachloro-, (1alpha,2alpha,3beta,4alpha,5alpha,6beta)-;58-89-9","C1(Cl)C(Cl)C(Cl)C(Cl)C(Cl)C1Cl","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"SN2|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation >> Vicinal Dihaloalkanes","SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> 1,2-Dihaloalkanes","(Poly) Halogenated Cycloalkanes (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","No alert found"]
["58-89-9","g-hexachlorocyclohexane (lindane);lindane;gamma-hexachlorocyclohexane;bhc;gamma-1,2,3,4,5,6-hexachlorocyclohexane;lindane (gama-hch);cyclohexane, 1,2,3,4,5,6-hexachloro-, (1a,2a,3b,4a,5a,6b)-;g-hch;gamma-hexachlorocycohexane;hexachlorocyclohexane, gamma-;?-hch or ?-bhc;cyclohexane, 1,2,3,4,5,6-hexachloro-, (1?,2?,3?,4?,5?,6?)-;cyclohexane, 1,2,3,4,5,6-hexachloro-, (1.alpha.,2.alpha.,3.beta.,4.alpha.,5.alpha.,6.beta.)-;gamma-hch or gamma-bhc;cyclohexane, 1,2,3,4,5,6-hexachloro-, .gamma.-;lindane [usan:ban:inn];(1r,2s,3r,4r,5s,6r)-1,2,3,4,5,6-hexachlorocyclohexane;1,2,3,4,5,6hexachlorocyclohexane(bhciso);(1alpha,2alpha,3beta,4alpha,5alpha,6beta)-1,2,3,4,5,6-hexachlorocyclohexane;(1r,2r,3s,4r,5r,6s)-1,2,3,4,5,6-hexachlorocyclohexane;gamma-hch;cyclohexane, 1,2,3,4,5,6-hexachloro-, (1alpha,2alpha,3beta,4alpha,5alpha,6beta)-;58-89-9","C1(Cl)C(Cl)C(Cl)C(Cl)C(Cl)C1Cl","Negative",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","SN2|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation >> Vicinal Dihaloalkanes","SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> 1,2-Dihaloalkanes","(Poly) Halogenated Cycloalkanes (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","No alert found"]
["58-90-2","2,3,4,6-tetrachlorophenol;tetrachlorophenol, 2,4,5,6-;chlorophenol, 2,3,4,6-;tetrachlorophenol, 2,3,4,6-;2,3,4,6-tetrachloro-phenol;phenol, 2,3,4,6-tetrachloro-;58-90-2","c1(Cl)c(Cl)c(Cl)c(O)c(Cl)c1","Positive",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["84-66-2","diethyl phthalate;phthalic acid, diethylester;diethyl pthalate;phthalic acid diethylether;1,2-benzenedicarboxylic acid, 1,2-diethyl ester;phthalic acid  diethyl ester;phthalic acid diethyl ester;diethyl phthalate (dep);1,2-benzenedicarboxylic acid, diethyl ester;phthalic acid, diethyl ester;diethyl benzene-1,2-dicarboxylate;diethylphthalate","C(=O)(c1c(C(=O)OCC)cccc1)OCC","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","Phtalate (or buthyl) diesters and monoesters (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["84-74-2","1,2-benzenedicarboxylic acid, 1,2-dibutyl ester;di-n-butylorthophthalate;di-n-butyl phthalate;phthalic acid, di-n-butylester;dibutyl phthalate (dbp);dibutyl phthalate;di-n-butyl phthalate (dbup);1,2-benzenedicarboxylic acid, dibutyl ester;dibutylphthatlate (dbp);phthalic acid, dibutyl ester","C(=O)(c1c(C(=O)OCCCC)cccc1)OCCCC","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","Phtalate (or buthyl) diesters and monoesters (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["84-74-2","1,2-benzenedicarboxylic acid, 1,2-dibutyl ester;di-n-butylorthophthalate;di-n-butyl phthalate;phthalic acid, di-n-butylester;dibutyl phthalate (dbp);dibutyl phthalate;di-n-butyl phthalate (dbup);1,2-benzenedicarboxylic acid, dibutyl ester;dibutylphthatlate (dbp);phthalic acid, dibutyl ester","C(=O)(c1c(C(=O)OCCCC)cccc1)OCCCC","Negative",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","No alert found","No alert found","Phtalate (or buthyl) diesters and monoesters (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["85-01-8","phenantrene;phenanthrene;phenanthrene, pure","c12c(c3c(cccc3)cc1)cccc2","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1","Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons"]
["85-01-8","phenantrene;phenanthrene;phenanthrene, pure","c12c(c3c(cccc3)cc1)cccc2","Negative",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1","Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons"]
["87-61-6","1,2,3-trichlorobenzene;trichlorobenzene, 1,2,3-;benzene, 1,2,3-trichloro-;1,2,3-trichlorbenzene;87-61-6","c1(Cl)c(Cl)c(Cl)ccc1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["87-61-6","1,2,3-trichlorobenzene;trichlorobenzene, 1,2,3-;benzene, 1,2,3-trichloro-;1,2,3-trichlorbenzene;87-61-6","c1(Cl)c(Cl)c(Cl)ccc1","Negative",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["88-72-2","benzene, 1-methyl-2-nitro-;2-nitrotoluene;nitrotoluene, 2-;o-nitrotoluene;1-methyl-2-nitrobenzene;toluene, o-nitro-;2nitrotoluene;88-72-2","c1(N(=O)=O)c(C)cccc1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro","Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Nitro-aromatic","Nitro-aromatic"]
["88-72-2","benzene, 1-methyl-2-nitro-;2-nitrotoluene;nitrotoluene, 2-;o-nitrotoluene;1-methyl-2-nitrobenzene;toluene, o-nitro-;2nitrotoluene;88-72-2","c1(N(=O)=O)c(C)cccc1","Negative",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro","Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Nitro-aromatic","Nitro-aromatic"]
["91-22-5","quinoline;91-22-5","c12c(cccc1)cccn2","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["91-22-5","quinoline;91-22-5","c12c(cccc1)cccn2","Positive",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["94-74-6","acetic acid, 2-(4-chloro-2-methylphenoxy)-;phenoxyacetic acid, 4-chloro-2-methyl- (mcpa);4-chloro-2-methylphenoxyacetic acid;(4-chloro-2-methyl-phenoxy)-acetic acid;mcpa;2-methyl-4-chlorophenoxyacetic acid;methyl-4-chlorophenoxyacetic acid, 2-;(4-chloro-2-methylphenoxy)acetic acid;acetic acid, (4-chloro-2-methylphenoxy)-;acetic acid, Х(4-chloro-o-tolyl)oxyе-;mcpa acid;mcpa isooctyl ester (rhonox formula);94-74-6","c1(OCC(=O)O)c(C)cc(Cl)cc1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["94-74-6","acetic acid, 2-(4-chloro-2-methylphenoxy)-;phenoxyacetic acid, 4-chloro-2-methyl- (mcpa);4-chloro-2-methylphenoxyacetic acid;(4-chloro-2-methyl-phenoxy)-acetic acid;mcpa;2-methyl-4-chlorophenoxyacetic acid;methyl-4-chlorophenoxyacetic acid, 2-;(4-chloro-2-methylphenoxy)acetic acid;acetic acid, (4-chloro-2-methylphenoxy)-;acetic acid, Х(4-chloro-o-tolyl)oxyе-;mcpa acid;mcpa isooctyl ester (rhonox formula);94-74-6","c1(OCC(=O)O)c(C)cc(Cl)cc1","Negative",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","No alert found","No alert found","Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["95-95-4","phenol, 2,4,5-trichloro-;2,4,5-trichlorophenol;trichlorophenol, 2,4,5-;2,4,5-trichloro-phenol;95-95-4","c1(Cl)c(Cl)cc(Cl)c(O)c1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["95-95-4","phenol, 2,4,5-trichloro-;2,4,5-trichlorophenol;trichlorophenol, 2,4,5-;2,4,5-trichloro-phenol;95-95-4","c1(Cl)c(Cl)cc(Cl)c(O)c1","Positive",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["95-95-4","phenol, 2,4,5-trichloro-;2,4,5-trichlorophenol;trichlorophenol, 2,4,5-;2,4,5-trichloro-phenol;95-95-4","c1(Cl)c(Cl)cc(Cl)c(O)c1","Negative",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system hamster","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["96-13-9","2,3-dibromopropanol;dibromo-1-propanol, 2,3-;2,3-dibromo-1-propanol;2,3-dibromopropan-1-ol;1-propanol, 2,3-dibromo-;2,3dibromopropan1ol","C(Br)(CO)CBr","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"Elimination (E2)|Elimination (E2) >> E2 elimination reaction with epoxide formation|Elimination (E2) >> E2 elimination reaction with epoxide formation >> Haloalcohols|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Haloalcohols|SN2|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation >> Vicinal Dihaloalkanes","SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> 1,2-Dihaloalkanes","Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity","Elimination (E2)|Elimination (E2) >> E2 elimination reaction with epoxide formation|Elimination (E2) >> E2 elimination reaction with epoxide formation >> Haloalcohols|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Haloalcohols|SN2|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation >> Vicinal Dihaloalkanes","Aliphatic halogens","Aliphatic halogen"]
["99-08-1","benzene, 1-methyl-3-nitro-;3-nitrotoluene;m-nitrotoluene;1-methyl-3-nitrobenzene;toluene, m-nitro-;99-08-1","c1(N(=O)=O)cc(C)ccc1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro","Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Nitro-aromatic","Nitro-aromatic"]
["99-09-2","benzenamine, 3-nitro-;3-nitroaniline;nitroaniline, 3-;m-nitroaniline;3-nitro-phenylamine;3-nitrobenzenamine;3-nitro-aniline;aniline, m-nitro-;3-nitro-benzeneamine;99-09-2","c1(N)cc(N(=O)=O)ccc1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN1 >> Nitrenium ion formation >> Nitro Compounds","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Nitro-aromatic (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","Nitro-aromatic|Primary aromatic amine,hydroxyl amine and its derived esters","Nitro-aromatic|Primary aromatic amine, hydroxyl amine and its derived esters"]
["99-09-2","benzenamine, 3-nitro-;3-nitroaniline;nitroaniline, 3-;m-nitroaniline;3-nitro-phenylamine;3-nitrobenzenamine;3-nitro-aniline;aniline, m-nitro-;3-nitro-benzeneamine;99-09-2","c1(N)cc(N(=O)=O)ccc1","Positive",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN1 >> Nitrenium ion formation >> Nitro Compounds","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Nitro-aromatic (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","Nitro-aromatic|Primary aromatic amine,hydroxyl amine and its derived esters","Nitro-aromatic|Primary aromatic amine, hydroxyl amine and its derived esters"]
["99-99-0","benzene, 1-methyl-4-nitro-;4-nitrotoluene;p-nitrotoluene;para-nitrotoluene;1-methyl-4-nitrobenzene;toluene, p-nitro-;99-99-0","c1(N(=O)=O)ccc(C)cc1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro","Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Nitro-aromatic","Nitro-aromatic"]
["104-94-9","4-methoxyaniline (p-anisidine);p-anisidine;4-methoxy-phenylamine;benzenamine, 4-methoxy-;4-methoxyaniline;4-methoxy-aniline;4-methoxybenzenamine;4-anisidine;104-94-9","c1(OC)ccc(N)cc1","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Primary aromatic amine,hydroxyl amine and its derived esters","Primary aromatic amine, hydroxyl amine and its derived esters"]
["105-37-3","ethyl propionate;propionic acid, ethyl ester;ethyl propanoate;propanoic acid, ethyl ester;105-37-3","C(=O)(CC)OCC","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["106-47-8","4-chloroaniline;chloroaniline, 4-;4-chloro-phenylamine;p-chloroaniline;benzenamine, 4-chloro-;4-chloro-aniline;106-47-8","c1(Cl)ccc(N)cc1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Primary aromatic amine,hydroxyl amine and its derived esters","Primary aromatic amine, hydroxyl amine and its derived esters"]
["106-47-8","4-chloroaniline;chloroaniline, 4-;4-chloro-phenylamine;p-chloroaniline;benzenamine, 4-chloro-;4-chloro-aniline;106-47-8","c1(Cl)ccc(N)cc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Primary aromatic amine,hydroxyl amine and its derived esters","Primary aromatic amine, hydroxyl amine and its derived esters"]
["106-47-8","4-chloroaniline;chloroaniline, 4-;4-chloro-phenylamine;p-chloroaniline;benzenamine, 4-chloro-;4-chloro-aniline;106-47-8","c1(Cl)ccc(N)cc1","Positive",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Primary aromatic amine,hydroxyl amine and its derived esters","Primary aromatic amine, hydroxyl amine and its derived esters"]
["106-48-9","phenol, 4-chloro-;4-chloro-3-methylphenol;4-chlorophenol;chlorophenol, 4-;4-chloro-phenol;p-chlorophenol;p-chloro-phenol;phenol, p-chloro-;106-48-9","c1(Cl)ccc(O)cc1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","No alert found"]
["107-92-6","butyric acid;n-butyric acid;butanoic acid;107-92-6","C(=O)(O)CCC","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["108-67-8","benzene, 1,3,5-trimethyl-;1,3,5-trimethylbenzene;trimethylbenzene, 1,3,5-;mesitylene","c1(C)cc(C)cc(C)c1","Negative",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["108-91-8","cyclohexanamine;cyclohexylamine;cyclohexylamine.hcl;aminocyclohexane;108-91-8","C1(N)CCCCC1","Positive",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["110-54-3","hexane;n-hexane;hexane, commercial grade (52% n-hexane, 16% 3-methylpentane, 16% methylcyclopentane);110-54-3","C(C)CCCC","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["110-82-7","cyclohexane;110-82-7","C1CCCCC1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["110-82-7","cyclohexane;110-82-7","C1CCCCC1","Negative",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["110-86-1","pyridine;110-86-1","c1ccccn1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["110-86-1","pyridine;110-86-1","c1ccccn1","Negative",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["111-42-2","diethanolamine;diethanol amine;2-(2-hydroxy-ethylamino)-ethanol;ethanol, 2,2'-iminobis-;2,2’-iminodiethanol;2,2'-iminodiethanol;ethanol, 2,2’-iminobis-;2,2'-iminobis ethanol;ethanol, 2,2'-iminodi-;2,2'-iminobisethanol;111-42-2","C(O)CNCCO","Negative",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","Schiff base formers|Schiff base formers >> Chemicals Activated by P450 to Glyoxal |Schiff base formers >> Chemicals Activated by P450 to Glyoxal  >> Ethanolamines (including morpholine)","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["120-82-1","1,2,4-trichlorobenzene;trichlorobenzene, 1,2,4-;benzene, 1,2,4-trichloro-;1,2,4-trichlorbenzene;120-82-1","c1(Cl)c(Cl)cc(Cl)cc1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["122-14-5","fenitrothion;fenitrothione;o,o-dimethyl o-(3-methyl-4-nitrophenyl)ester phosphorothioic acid (fenitrothion);o,o-dimethyl o-(3-methyl-4-nitrophenyl) phosphorothioate;phosphorothioic acid, o,o-dimethyl o-(3-methyl-4-nitrophenyl) ester;phosphorothioic acid o,o-dimethyl o-(3-methyl-4-nitrophenyl)ester;fenitrothion (degradate);o,o-dimethyl-o-(3-methyl-4-nitrophenyl) phosphorothionate;fenitrothion (mep);phosphorothioic acid o,o-dimethyl o-(3-methyl-4-nitrophenyl) ester;122-14-5","c1(N(=O)=O)c(C)cc(OP(=S)(OC)OC)cc1","Positive",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro","Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates","Nitro-aromatic","Nitro-aromatic"]
["122-14-5","fenitrothion;fenitrothione;o,o-dimethyl o-(3-methyl-4-nitrophenyl)ester phosphorothioic acid (fenitrothion);o,o-dimethyl o-(3-methyl-4-nitrophenyl) phosphorothioate;phosphorothioic acid, o,o-dimethyl o-(3-methyl-4-nitrophenyl) ester;phosphorothioic acid o,o-dimethyl o-(3-methyl-4-nitrophenyl)ester;fenitrothion (degradate);o,o-dimethyl-o-(3-methyl-4-nitrophenyl) phosphorothionate;fenitrothion (mep);phosphorothioic acid o,o-dimethyl o-(3-methyl-4-nitrophenyl) ester;122-14-5","c1(N(=O)=O)c(C)cc(OP(=S)(OC)OC)cc1","Negative",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system hamster","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro","Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates","Nitro-aromatic","Nitro-aromatic"]
["123-86-4","butyl acetate;butyl-n acetate;n-butyl acetate;n-butylacetate;acetic acid, butyl ester;butyl ester, acetic acid;butylacetate;123-86-4;butyl  acetate","C(C)(=O)OCCCC","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Specific Acetate Esters|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Specific Acetate Esters|SN2|SN2 >> Acylating agents|SN2 >> Acylating agents >> Specific Acetate Esters|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Specific Acetate Esters","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["126-73-8","phosphoric acid tributyl ester;tributyl phosphate;phosphoric acid, tributylester;tributylphosphate;phosphoric acid, tributyl ester;butyl phosphate, ((buo)3po);phosphoric-acid-tributyl-ester-;tri-n-butyl phosphate;126-73-8","C(CCC)OP(=O)(OCCCC)OCCCC","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates","No alert found","Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid (Genotox)|Structural alert for genotoxic carcinogenicity","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates","Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid","Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid|H-acceptor-path3-H-acceptor"]
["126-73-8","phosphoric acid tributyl ester;tributyl phosphate;phosphoric acid, tributylester;tributylphosphate;phosphoric acid, tributyl ester;butyl phosphate, ((buo)3po);phosphoric-acid-tributyl-ester-;tri-n-butyl phosphate;126-73-8","C(CCC)OP(=O)(OCCCC)OCCCC","Negative",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates","No alert found","Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid (Genotox)|Structural alert for genotoxic carcinogenicity","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates","Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid","Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid|H-acceptor-path3-H-acceptor"]
["141-97-9","ethyl acetoacetate;acetoacetic ester;butanoic acid, 3-oxo-, ethyl ester;acetoacetic acid ethyl ester;acetoacetic acid, ethyl ester;ethyl 3-oxobutanoate;3-oxobutanoic acid, ethyl ester;141-97-9;oxo-form","C(=O)(CC(C)=O)OCC","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["151-21-3","sodium lauryl sulfate;sodium dodecylsulfate;sulfuric acid monododecyl ester sodium salt","C(CCCCCCCCCCC)OS(=O)(=O)O","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality, Conflict","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["260-94-6","acridine;260-94-6","c12c(cc3c(cccc3)n1)cccc2","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition","Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Heterocyclic Polycyclic Aromatic Hydrocarbons","Heterocyclic Polycyclic Aromatic Hydrocarbons"]
["260-94-6","acridine;260-94-6","c12c(cc3c(cccc3)n1)cccc2","Positive",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition","Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Heterocyclic Polycyclic Aromatic Hydrocarbons","Heterocyclic Polycyclic Aromatic Hydrocarbons"]
["554-00-7","benzenamine, 2,4-dichloro-;3,4-dichloroaniline;2,4-dichloroaniline;2,4-dichloro-phenylamine;2,4-dichloro-aniline;aniline, 2,4-dichloro-;2,4-dichlorobenzenamine;554-00-7","c1(N)c(Cl)cc(Cl)cc1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Primary aromatic amine,hydroxyl amine and its derived esters","Primary aromatic amine, hydroxyl amine and its derived esters"]
["584-79-2","allethrin;bioallethrin;d-cis,trans-allethrin;cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, 2-methyl-4-oxo-3-(2-propenyl)-2-cyclopenten-1-yl ester;bioallethrin [ban];2-methyl-4-oxo-3-(prop-2-en-1-yl)cyclopent-2-en-1-yl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate;2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylic acid 2-methyl-4-oxo-3-(2-propenyl)-2-cyclopenten-1-yl ester;d-trans-allethrin;cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methylpropenyl)-, ester with 2-allyl-4-hydroxy-3-methyl-2-cyclopenten-1-one (van) (8ci);584-79-2","C1(=O)C(CC=C)=C(C)C(OC(=O)C2C(C)(C)C2C=C(C)C)C1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","alpha,beta-unsaturated carbonyls","alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor"]
["589-16-2","4-ethylaniline;4-ethyl-phenylamine;p-ethylaniline;benzenamine, 4-ethyl-;aniline, p-ethyl-;aniline, p-ethyl- (8ci)","c1(N)ccc(CC)cc1","Positive",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","Primary aromatic amine,hydroxyl amine and its derived esters","Primary aromatic amine, hydroxyl amine and its derived esters"]
["935-95-5","2,3,5,6-tetrachlorophenol;tetrachlorophenol, 2,3,5,6-;2,3,5,6-tetrachloro-phenol;phenol, 2,3,5,6-tetrachloro-","c1(Cl)c(Cl)c(O)c(Cl)c(Cl)c1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["935-95-5","2,3,5,6-tetrachlorophenol;tetrachlorophenol, 2,3,5,6-;2,3,5,6-tetrachloro-phenol;phenol, 2,3,5,6-tetrachloro-","c1(Cl)c(Cl)c(O)c(Cl)c(Cl)c1","Positive",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["935-95-5","2,3,5,6-tetrachlorophenol;tetrachlorophenol, 2,3,5,6-;2,3,5,6-tetrachloro-phenol;phenol, 2,3,5,6-tetrachloro-","c1(Cl)c(Cl)c(O)c(Cl)c(Cl)c1","Negative",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system hamster","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["121-32-4","3-ethoxy-4-hydroxybenzaldehyde;3,4-dihydroxybenzaldehyde;ethyl vanillin;benzaldehyde, 3-ethoxy-4-hydroxy-;ethylvanillin;121-32-4;3-et ether","c1(O)c(OCC)cc(C=O)cc1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","Simple aldehyde (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Simple aldehyde","H-acceptor-path3-H-acceptor|Simple aldehyde"]
["121-33-5","vanillin (3-methoxy-4-hydroxybenzaldehyde);3,4-dihydroxybenzaldehyde;vanillin;4-hydroxy-3-methoxy-benzaldehyde;benzaldehyde, 4-hydroxy-3-methoxy-;vanilin;4-hydroxy-3-methoxybenzaldehyde;121-33-5;3-methoxy-4-hydroxybenzaldehyde;3-me ether","c1(O)c(OC)cc(C=O)cc1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones","Simple aldehyde (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Simple aldehyde","H-acceptor-path3-H-acceptor|Simple aldehyde"]
["123-66-0","ethyl hexanoate;ethyl capronate;ethylbexanoic acid, 2-;ethyl caproate;hexanoic acid, ethyl ester","C(=O)(CCCCC)OCC","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["132-64-9","dibenzofuran;dibenzofurane;diphenylene oxide;dibenzo[b,d]furan","c12-c3c(cccc3)Oc1cccc2","Negative",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","No alert found","No alert found","Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Heterocyclic Polycyclic Aromatic Hydrocarbons","Heterocyclic Polycyclic Aromatic Hydrocarbons"]
["137-40-6","propionic acid;propanoic acid, sodium salt","C(=O)(O)CC","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality, Conflict","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["2216-51-5","(1r,2s,5r)-(-)-menthol;menthol;(-)-menthol;l-menthol;cyclohexanol, 5-methyl-2-(1-methylethyl)-, [1r-(1à,2 ,5à)]-;menthol (l);levomenthol [ban:inn];levomenthol;cyclohexanol, 5-methyl-2-(1-methylethyl)-, [1r-(1?,2?,5?)]-;cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1r,2s,5r)-;(1r,2s,5r)-5-methyl-2-(propan-2-yl)cyclohexanol;cyclohexanol, 5-methyl-2-(1-methylethyl)-, [1r-(1.alpha.,2.beta.,5.alpha.)]-;(1r,2s,5r)-5-methyl-2-(1-methylethyl)cyclohexanol;menthol (l-menthol);2-isopropyl-5-methylcyclohexanol;cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1r-(1alpha,2beta,5alpha))- (9ci);2216-51-5;<i>p</i>-menthan-3-ol;(1<i>r</i>,3<i>r</i>,4<i>s</i>)-form","C(C)(C)C1C(O)CC(C)CC1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","N/A","YES","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["2216-51-5","(1r,2s,5r)-(-)-menthol;menthol;(-)-menthol;l-menthol;cyclohexanol, 5-methyl-2-(1-methylethyl)-, [1r-(1à,2 ,5à)]-;menthol (l);levomenthol [ban:inn];levomenthol;cyclohexanol, 5-methyl-2-(1-methylethyl)-, [1r-(1?,2?,5?)]-;cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1r,2s,5r)-;(1r,2s,5r)-5-methyl-2-(propan-2-yl)cyclohexanol;cyclohexanol, 5-methyl-2-(1-methylethyl)-, [1r-(1.alpha.,2.beta.,5.alpha.)]-;(1r,2s,5r)-5-methyl-2-(1-methylethyl)cyclohexanol;menthol (l-menthol);2-isopropyl-5-methylcyclohexanol;cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1r-(1alpha,2beta,5alpha))- (9ci);2216-51-5;<i>p</i>-menthan-3-ol;(1<i>r</i>,3<i>r</i>,4<i>s</i>)-form","C(C)(C)C1C(O)CC(C)CC1","Negative",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","N/A","YES","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["4901-51-3","2,3,4,5-tetrachlorophenol;tetrachlorophenol, 2,3,4,5-;phenol, 2,3,4,5-tetrachloro-;4901-51-3","c1(Cl)c(Cl)c(Cl)c(Cl)c(O)c1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["4901-51-3","2,3,4,5-tetrachlorophenol;tetrachlorophenol, 2,3,4,5-;phenol, 2,3,4,5-tetrachloro-;4901-51-3","c1(Cl)c(Cl)c(Cl)c(Cl)c(O)c1","Positive",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["4901-51-3","2,3,4,5-tetrachlorophenol;tetrachlorophenol, 2,3,4,5-;phenol, 2,3,4,5-tetrachloro-;4901-51-3","c1(Cl)c(Cl)c(Cl)c(Cl)c(O)c1","Negative",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system hamster","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["62-50-0","ethyl methanesulfonate;methanesulfonic acid;ethyl methanesulphonate;methanesulfonic acid, ethyl ester;ethyl methanesulfonate (ems);et ester","C(C)OS(C)(=O)=O","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Sulfonates and Sulfates","SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Sulfonates","Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid (Genotox)|Structural alert for genotoxic carcinogenicity","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Sulfonates and Sulfates","Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid","Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid|H-acceptor-path3-H-acceptor"]
["62-50-0","ethyl methanesulfonate;methanesulfonic acid;ethyl methanesulphonate;methanesulfonic acid, ethyl ester;ethyl methanesulfonate (ems);et ester","C(C)OS(C)(=O)=O","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Sulfonates and Sulfates","SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Sulfonates","Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid (Genotox)|Structural alert for genotoxic carcinogenicity","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Sulfonates and Sulfates","Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid","Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid|H-acceptor-path3-H-acceptor"]
["90-04-0","o-anisidine (2-methoxyaniline);o-anisidine;2-methoxy-phenylamine;benzenamine, 2-methoxy-;2-anisidine hydrochloride;2-methoxyaniline;2-methoxy-aniline;2-anisidine;oanisidine;2-methoxybenzeneamine;90-04-0","c1(OC)c(N)cccc1","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Primary aromatic amine,hydroxyl amine and its derived esters","H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters"]
["95-53-4","2-toluidine;toluidine, 2-;o-toluidine;o-tolylamine;benzenamine, 2-methyl-;ortho-toluidin hydrochloride;2-methylbenzenamine;2-methylaniline;2-aminotoluene (o-toluidine);95-53-4","c1(N)c(C)cccc1","Negative",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","Primary aromatic amine,hydroxyl amine and its derived esters","Primary aromatic amine, hydroxyl amine and its derived esters"]
["95-53-4","2-toluidine;toluidine, 2-;o-toluidine;o-tolylamine;benzenamine, 2-methyl-;ortho-toluidin hydrochloride;2-methylbenzenamine;2-methylaniline;2-aminotoluene (o-toluidine);95-53-4","c1(N)c(C)cccc1","Positive",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","Primary aromatic amine,hydroxyl amine and its derived esters","Primary aromatic amine, hydroxyl amine and its derived esters"]
["95-53-4","2-toluidine;toluidine, 2-;o-toluidine;o-tolylamine;benzenamine, 2-methyl-;ortho-toluidin hydrochloride;2-methylbenzenamine;2-methylaniline;2-aminotoluene (o-toluidine);95-53-4","c1(N)c(C)cccc1","Negative",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system hamster","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","Primary aromatic amine,hydroxyl amine and its derived esters","Primary aromatic amine, hydroxyl amine and its derived esters"]
["119-93-7","[1,1'-biphenyl]-4,4'-diamine, 3,3'-dimethyl-;3,3'-dimethylbenzidine;3,3'-dimethylbenzidine dihydrochloride;3,3'-dimethyl-biphenyl-4,4'-diamine;bianisidine;[1,1-biphenyl]-4,4-diamine, 3,3-dimethyl-;tolidine;3,3'-tolidine;4,4'-diamino-3,3'-dimethylbiphenyl;4,4'-bi-o-toluidine;[1,1’-biphenyl]-4,4’-diamine, 3,3’-dimethyl-;3,3-dimethylbenzidine;orthotolidine;3,3'-dimethylbiphenyl-4,4'-diamine;4,4?biotoluidine(orthotolidine);3,3'-dimethyl-[1,1'-biphenyl]-4,4'-diamine;3,3''-dimethylbenzidine;o-tolidine;(1,1'-biphenyl)-4,4'-diamine, 3,3'-dimethyl-","c1(-c2cc(C)c(N)cc2)cc(C)c(N)cc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Primary aromatic amine,hydroxyl amine and its derived esters","Primary aromatic amine, hydroxyl amine and its derived esters"]
["129-00-0","pyrene;129-00-0","c12c3c4c(ccc3ccc1)cccc4cc2","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","No alert found","Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons"]
["129-00-0","pyrene;129-00-0","c12c3c4c(ccc3ccc1)cccc4cc2","Positive",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","No alert found","Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons"]
["129-00-0","pyrene;129-00-0","c12c3c4c(ccc3ccc1)cccc4cc2","Negative",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system hamster","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","No alert found","Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons"]
["134-32-7","1-naphthalenamine;1-aminonaphthalene;1-naphthylamine;naphthalen-1-ylamine;1-naphtylamine;naphthalen-1-amine;1and2naphthylaminesandtheirsalts;alpha-naphthylamine;1-naphthylenamine","c1(N)c2c(cccc2)ccc1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","Primary aromatic amine,hydroxyl amine and its derived esters","Primary aromatic amine, hydroxyl amine and its derived esters"]
["134-32-7","1-naphthalenamine;1-aminonaphthalene;1-naphthylamine;naphthalen-1-ylamine;1-naphtylamine;naphthalen-1-amine;1and2naphthylaminesandtheirsalts;alpha-naphthylamine;1-naphthylenamine","c1(N)c2c(cccc2)ccc1","Positive",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","Primary aromatic amine,hydroxyl amine and its derived esters","Primary aromatic amine, hydroxyl amine and its derived esters"]
["147-94-4","cytosine arabinoside;cytarabine;cytosine arabinoside cytarabine;2(1h)-pyrimidinone, 4-amino-1-?-d-arabinofuranosyl-;4-amino-1-(beta-d-arabinofuranosyl)pyrimidin-2(1h)-one;2(1h)-pyrimidinone, 4-amino-1-.beta.-d-arabinofuranosyl-;4-amino-1-beta-d-arabinofuranosyl-2(1h)pyrimidinone;2(1h)-pyrimidinone, 4-amino-1-beta-d-arabinofuranosyl-","C1(N)C=CN(C2C(O)C(O)C(CO)O2)C(=O)N=1","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives","SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor|Oxolane"]
["607-57-8","2-nitrofluorene;2-nitro-9h-fluorene;9h-fluorene, 2-nitro-;fluorene, 2-nitro- (8ci)","c12-c3c(cc(N(=O)=O)cc3)Cc1cccc2","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality, Conflict","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro","Nitro-aromatic (Genotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","Nitro-aromatic|Polycyclic Aromatic Hydrocarbons","Nitro-aromatic|Polycyclic Aromatic Hydrocarbons"]
["42397-65-9","1,8-dinitropyrene;pyrene, 1,8-dinitro-","c1(N(=O)=O)c2c3c4c(c(N(=O)=O)ccc4ccc3cc1)cc2","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro","Nitro-aromatic (Genotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","Nitro-aromatic|Polycyclic Aromatic Hydrocarbons","Nitro-aromatic|Polycyclic Aromatic Hydrocarbons"]
["42397-65-9","1,8-dinitropyrene;pyrene, 1,8-dinitro-","c1(N(=O)=O)c2c3c4c(c(N(=O)=O)ccc4ccc3cc1)cc2","Negative",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro","Nitro-aromatic (Genotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","Nitro-aromatic|Polycyclic Aromatic Hydrocarbons","Nitro-aromatic|Polycyclic Aromatic Hydrocarbons"]
["42397-65-9","1,8-dinitropyrene;pyrene, 1,8-dinitro-","c1(N(=O)=O)c2c3c4c(c(N(=O)=O)ccc4ccc3cc1)cc2","Positive",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system hamster","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro","Nitro-aromatic (Genotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","Nitro-aromatic|Polycyclic Aromatic Hydrocarbons","Nitro-aromatic|Polycyclic Aromatic Hydrocarbons"]
["57-83-0","progesterone;pregn-4-ene-3,20-dione","C12C(C)(C3C(C4C(C)(C(C(C)=O)CC4)CC3)CC1)CCC(=O)C=2","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","N/A","YES","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","alpha,beta-unsaturated carbonyls","alpha,beta-unsaturated carbonyls"]
["57-83-0","progesterone;pregn-4-ene-3,20-dione","C12C(C)(C3C(C4C(C)(C(C(C)=O)CC4)CC3)CC1)CCC(=O)C=2","Negative",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","N/A","YES","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","No alert found","alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","alpha,beta-unsaturated carbonyls","alpha,beta-unsaturated carbonyls"]
["57-83-0","progesterone;pregn-4-ene-3,20-dione","C12C(C)(C3C(C4C(C)(C(C(C)=O)CC4)CC3)CC1)CCC(=O)C=2","Negative",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","N/A","YES","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system hamster","No alert found","No alert found","alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","alpha,beta-unsaturated carbonyls","alpha,beta-unsaturated carbonyls"]
["59-92-7","l-dopa;(s)-2-amino-3-(3,4-dihydroxy-phenyl)-propionic acid;2-amino-3-(3,4-dihydroxy-phenyl)-propionic acid;dopa;levodopa;l-tyrosine, 3-hydroxy-;3-hydroxy-l-tyrosine;levodopa [usan:ban:inn:jan];alanine, 3-(3,4-dihydroxyphenyl)-, l-;59-92-7;(<i>s</i>)-form;2-amino-3-(3,4-dihydroxyphenyl)propanoic acid","c1(O)c(O)cc(CC(N)C(=O)O)cc1","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Alkyl phenols|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["59-92-7","l-dopa;(s)-2-amino-3-(3,4-dihydroxy-phenyl)-propionic acid;2-amino-3-(3,4-dihydroxy-phenyl)-propionic acid;dopa;levodopa;l-tyrosine, 3-hydroxy-;3-hydroxy-l-tyrosine;levodopa [usan:ban:inn:jan];alanine, 3-(3,4-dihydroxyphenyl)-, l-;59-92-7;(<i>s</i>)-form;2-amino-3-(3,4-dihydroxyphenyl)propanoic acid","c1(O)c(O)cc(CC(N)C(=O)O)cc1","Negative",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system hamster","No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Alkyl phenols|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["90-30-2","1-naphthalenamine, n-phenyl-;1-(n-phenylamino) naphthalene;n-phenyl-1-naphthylamine;phenyl-alpha-naphthylamine;n-1-naphthylaniline;1-naphthylamine, n-phenyl-;n-phenylnaphthalen-1-amine;1-(n-phenylamino)naphthalene;<i>n</i>-phenyl-1-naphthylamine","c1(Nc2ccccc2)c2c(cccc2)ccc1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["90-30-2","1-naphthalenamine, n-phenyl-;1-(n-phenylamino) naphthalene;n-phenyl-1-naphthylamine;phenyl-alpha-naphthylamine;n-1-naphthylaniline;1-naphthylamine, n-phenyl-;n-phenylnaphthalen-1-amine;1-(n-phenylamino)naphthalene;<i>n</i>-phenyl-1-naphthylamine","c1(Nc2ccccc2)c2c(cccc2)ccc1","Negative",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["96-33-3","methyl acrylate;2-propenoic acid, methyl ester;acrylic acid methyl ester","C(=O)(C=C)OC","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated esters","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["104-55-2","cinnamaldehyde;3-phenyl-2-propenal;2-propenal, 3-phenyl-;\"\"trans-cinnamaldehyde;cinnamaldehyde\"\"\";cinnamic aldehyde;(2e)-3-phenylprop-2-enal;cinnamaldehyde formulated product;104-55-2","c1(C=CC=O)ccccc1","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"Michael addition|Michael addition >> alpha, beta-unsaturated carabonyl compounds|Michael addition >> alpha, beta-unsaturated carabonyl compounds >> Alpha, Beta-Unsaturated Aldehydes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Alpha, Beta-Unsaturated Aldehydes","No alert found","No alert found","Michael addition|Michael addition >> alpha, beta-unsaturated carabonyl compounds|Michael addition >> alpha, beta-unsaturated carabonyl compounds >> Alpha, Beta-Unsaturated Aldehydes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Alpha, Beta-Unsaturated Aldehydes","No alert found","No alert found"]
["105-40-8","n-methylcarbamic acid, et ester;n-methyl ethylcarbamate;ethyl-n-methylcarbamate;ethyl methylcarbamate;n-methylcarbamic acid, ethyl ester;carbamic acid, methyl-, ethyl ester","C(=O)(NC)OCC","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","Alkyl carbamate and thiocarbamate (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Alkyl carbamate and thiocarbamate","Alkyl carbamate and thiocarbamate|H-acceptor-path3-H-acceptor"]
["120-12-7","anthracene;anthraceneoil","c12c(cc3c(cccc3)c1)cccc2","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition","Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons"]
["120-12-7","anthracene;anthraceneoil","c12c(cc3c(cccc3)c1)cccc2","Positive",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition","Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons"]
["120-12-7","anthracene;anthraceneoil","c12c(cc3c(cccc3)c1)cccc2","Negative",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system hamster","No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition","Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons"]
["137-08-6","calcium pantothenate;?-alanine, n-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, calcium salt (2:1), (r)-","C(=O)(C(O)C(C)(C)CO)NCCC(=O)O","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality, Conflict","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["153-78-6","2-aminofluorene;9h-fluoren-2-amine","c12-c3c(cc(N)cc3)Cc1cccc2","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality, Conflict","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Polycyclic Aromatic Hydrocarbons (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Polycyclic Aromatic Hydrocarbons|Primary aromatic amine,hydroxyl amine and its derived esters","Polycyclic Aromatic Hydrocarbons|Primary aromatic amine, hydroxyl amine and its derived esters"]
["494-03-1","n,n-bis(2-chloroethyl)-2-naphthylamine;chlornaphazine;chloronaphazine;n,n-bis(2-chloroethyl)naphthalen-2-amine;2-naphthalenamine, n,n-bis(2-chloroethyl)- (9ci)","c12c(cc(N(CCCl)CCCl)cc1)cccc2","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Nitrogen Mustards","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine|SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> Mustards","S or N mustard (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","S or N mustard","S or N mustard"]
["494-03-1","n,n-bis(2-chloroethyl)-2-naphthylamine;chlornaphazine;chloronaphazine;n,n-bis(2-chloroethyl)naphthalen-2-amine;2-naphthalenamine, n,n-bis(2-chloroethyl)- (9ci)","c12c(cc(N(CCCl)CCCl)cc1)cccc2","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Nitrogen Mustards","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine|SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> Mustards","S or N mustard (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","S or N mustard","S or N mustard"]
["592-62-1","methylazoxymethanol acetate;(methyl-onn-azoxy)methyl acetate;[(e)-methyl-onn-azoxy]methyl acetate;(methylonnazoxy)methylacetate;(methyl-onn-azoxy)methanol, acetate(ester);methanol, (methyl-onn-azoxy)-, acetate (ester)","C(C)(=O)OCN=N(C)=O","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Specific Acetate Esters|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Specific Acetate Esters|SN2|SN2 >> Acylating agents|SN2 >> Acylating agents >> Specific Acetate Esters|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Specific Acetate Esters","No alert found","Aliphatic azo and azoxy (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Aliphatic azo and azoxy","Aliphatic azo and azoxy|H-acceptor-path3-H-acceptor"]
["592-62-1","methylazoxymethanol acetate;(methyl-onn-azoxy)methyl acetate;[(e)-methyl-onn-azoxy]methyl acetate;(methylonnazoxy)methylacetate;(methyl-onn-azoxy)methanol, acetate(ester);methanol, (methyl-onn-azoxy)-, acetate (ester)","C(C)(=O)OCN=N(C)=O","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Specific Acetate Esters|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Specific Acetate Esters|SN2|SN2 >> Acylating agents|SN2 >> Acylating agents >> Specific Acetate Esters|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Specific Acetate Esters","No alert found","Aliphatic azo and azoxy (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Aliphatic azo and azoxy","Aliphatic azo and azoxy|H-acceptor-path3-H-acceptor"]
["613-13-8","2-aminoanthracene;2-anthrylamine;anthracen-2-amine","c12c(cc3c(cc(N)cc3)c1)cccc2","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition|SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Polycyclic Aromatic Hydrocarbons (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","Polycyclic Aromatic Hydrocarbons|Primary aromatic amine,hydroxyl amine and its derived esters","Polycyclic Aromatic Hydrocarbons|Primary aromatic amine, hydroxyl amine and its derived esters"]
["680-31-9","phosphoric triamide, n,n,n',n',n'',n''-hexamethyl-;hexamethylphosphoric triamide;hexamethylphosphoramide;hexametapol;hexamethyl phosphoramide;hempa;phosphorictrisdimethylamide;phosphoric triamide, hexamethyl-;n,n,n',n',n'',n''-hexamethylphosphoric triamide;hexamethylphosphorictriamide;hexamethyl phosphoric triamide;680-31-9","CN(C)P(=O)(N(C)C)N(C)C","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["1910-42-5","1,1'-dimethyl-4,4'-bipyridinium dichloride;n.n'-dimethyl-4,4'-bipyridinium=dichloride;paraquat;n,n'-dimethyl-4,4'-bipyridinium dichloride;paraquat dichloride;methyl viologen;paraquat-dichloride","c1(-c2ccn{+}(C)(.Cl{-})cc2)ccn{+}(C)(.Cl{-})cc1","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality, Conflict","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["4637-56-3","4-(hydroxyamino)quinoline 1-oxide;4-hydroxyaminoquinoline-1-oxide;quinoline, 4-(hydroxyamino)-, 1-oxide","c1(NO)c2c(cccc2)n(=O)cc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> N-hydroxylamines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic N-hydroxylamines","Aromatic ring N-oxide (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> N-hydroxylamines","Aromatic ring N-oxide|Primary aromatic amine,hydroxyl amine and its derived esters","Aromatic ring N-oxide|H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters"]
["6098-44-8","n-acetoxy-2-acetylaminofluorene;acetamide, n-(acetoxy)-n-9h-fluoren-2-yl- (9ci)","c12-c3c(cc(N(C(C)=O)OC(C)=O)cc3)Cc1cccc2","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","SN2|SN2 >> SN2 at Nitrogen Atom|SN2 >> SN2 at Nitrogen Atom >> N-acetoxyamines","No alert found","Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","SN2|SN2 >> SN2 at Nitrogen Atom|SN2 >> SN2 at Nitrogen Atom >> N-acetoxyamines","Polycyclic Aromatic Hydrocarbons","H-acceptor-path3-H-acceptor|Polycyclic Aromatic Hydrocarbons"]
["16238-56-5","7-(bromomethyl)-12-methylbenz[a]anthracene;7-bromomethyl-12-methylbenz(a)anthracene;benz(a)anthracene, 7-(bromomethyl)-12-methyl-","c12c(c3c(C)c4c(c(CBr)c3cc1)cccc4)cccc2","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition|SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1|SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides","Aliphatic halogens (Genotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","Aliphatic halogens|Polycyclic Aromatic Hydrocarbons","Aliphatic halogen|Polycyclic Aromatic Hydrocarbons"]
["21739-91-3","cytembena;sodium (2e)-3-bromo-4-(4-methoxyphenyl)-4-oxobut-2-enoate","C(Br)(C(=O)c1ccc(OC)cc1)=CC(=O)O","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality, Conflict","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives","No alert found","Alkylbenzenes (Genotox)|alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity","SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives","alpha,beta-unsaturated carbonyls","alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor"]
["77-73-6","4,7-methano-1h-indene, 3a,4,7,7a-tetrahydro-;dicyclopentadiene;3a,4,7,7a-tetrahydro-4,7-methanoindene;3a,4,7,7a-tetrahydro-4,7-methano-1h-indene;4,7-methanoindene, 3a,4,7,7a-tetrahydro-;3a,4,7,7a-tetrahydro-1h-4,7-methanoindene","C1C2C(C3C=CC2C3)CC=1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["77-73-6","4,7-methano-1h-indene, 3a,4,7,7a-tetrahydro-;dicyclopentadiene;3a,4,7,7a-tetrahydro-4,7-methanoindene;3a,4,7,7a-tetrahydro-4,7-methano-1h-indene;4,7-methanoindene, 3a,4,7,7a-tetrahydro-;3a,4,7,7a-tetrahydro-1h-4,7-methanoindene","C1C2C(C3C=CC2C3)CC=1","Negative",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["85-70-1","butylphthalyl butylglycolate;butylglycolyl butyl phthalate;2-butoxy-2-oxoethyl butyl phthalate;butylphthalylbutylglycollate;butoxycarbonylmethyl butyl phthalate;butylphthalyl butylglycolate (bpbg);1,2-benzenedicarboxylic acid, 2-butoxy-2-oxoethyl butyl ester;2-butoxy-2-oxoethylbutylester-1,2-benzenedicarboxylic acid;phthalic acid, butyl ester, ester with butyl glycolate;2-butoxy-2-oxoethyl butyl benzene-1,2-dicarboxylate","C(=O)(c1c(C(=O)OCC(=O)OCCCC)cccc1)OCCCC","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","Phtalate (or buthyl) diesters and monoesters (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["3648-21-3","1,2-benzenedicarboxylic acid, 1,2-diheptyl ester;benzene-1,2-dicarboxylicacid diheptyl;diheptyl phthalate;1,2-benzenedicarboxylic acid, diheptyl ester;phthalic acid, diheptyl ester;diheptyl benzene-1,2-dicarboxylate","C(=O)(c1c(C(=O)OCCCCCCC)cccc1)OCCCCCCC","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","Phtalate (or buthyl) diesters and monoesters (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["3648-21-3","1,2-benzenedicarboxylic acid, 1,2-diheptyl ester;benzene-1,2-dicarboxylicacid diheptyl;diheptyl phthalate;1,2-benzenedicarboxylic acid, diheptyl ester;phthalic acid, diheptyl ester;diheptyl benzene-1,2-dicarboxylate","C(=O)(c1c(C(=O)OCCCCCCC)cccc1)OCCCCCCC","Negative",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","No alert found","No alert found","Phtalate (or buthyl) diesters and monoesters (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["4191-73-5","isopropyl-4-hydroxybenzoate;isopropyl-p-hydroxybenzoate;isopropyl 4-hydroxybenzoate;benzoic acid, 4-hydroxy-, 1-methylethyl ester;propan-2-yl 4-hydroxybenzoate","C(=O)(c1ccc(O)cc1)OC(C)C","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["50-01-1","guanidine, monohydrochloride;guanidine hydrochloride","C(=N)(N)N","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality, Conflict","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["64-19-7","acetic acid;acetic acid, of a concentration of more than 10 per cent, by weight, of acetic acid;64-19-7","C(C)(=O)O","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["69-72-7","salicylic acid (2-carboxylphenol)  (neutralized);salicylic acid;2-hydroxy-benzoic acid;benzoic acid, 2-hydroxy-;2-hydroxybenzoic acid;salicyclic acid;salicylic acid (sa);salicylic acid [usan:jan];69-72-7","C(=O)(O)c1c(O)cccc1","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["93-05-0","n,n-diethyl-p-phenylenediamine;n,n-diethyl-1,4-benzenediamine;4-amino-n,n-diethylaniline;1,4-benzenediamine, n,n-diethyl-;p-phenylenediamine, n,n-diethyl-;n,n-diethylbenzene-1,4-diamine;n,ndiethylpphenylenediamineandits salts,whenusedasasubstanceinhairdye products","c1(N)ccc(N(CC)CC)cc1","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine","Aromatic mono-and dialkylamine (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","Aromatic mono-and dialkylamine|Primary aromatic amine,hydroxyl amine and its derived esters","Aromatic mono- and dialkylamine|Primary aromatic amine, hydroxyl amine and its derived esters"]
["93-05-0","n,n-diethyl-p-phenylenediamine;n,n-diethyl-1,4-benzenediamine;4-amino-n,n-diethylaniline;1,4-benzenediamine, n,n-diethyl-;p-phenylenediamine, n,n-diethyl-;n,n-diethylbenzene-1,4-diamine;n,ndiethylpphenylenediamineandits salts,whenusedasasubstanceinhairdye products","c1(N)ccc(N(CC)CC)cc1","Negative",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine","Aromatic mono-and dialkylamine (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","Aromatic mono-and dialkylamine|Primary aromatic amine,hydroxyl amine and its derived esters","Aromatic mono- and dialkylamine|Primary aromatic amine, hydroxyl amine and its derived esters"]
["93-05-0","n,n-diethyl-p-phenylenediamine;n,n-diethyl-1,4-benzenediamine;4-amino-n,n-diethylaniline;1,4-benzenediamine, n,n-diethyl-;p-phenylenediamine, n,n-diethyl-;n,n-diethylbenzene-1,4-diamine;n,ndiethylpphenylenediamineandits salts,whenusedasasubstanceinhairdye products","c1(N)ccc(N(CC)CC)cc1","Positive",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system hamster","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine","Aromatic mono-and dialkylamine (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","Aromatic mono-and dialkylamine|Primary aromatic amine,hydroxyl amine and its derived esters","Aromatic mono- and dialkylamine|Primary aromatic amine, hydroxyl amine and its derived esters"]
["101-96-2","n,n'-di-sec-butyl-p-phenylenediamine;n,n'-di-s-butyl-p-phenylenediamine;1,4-benzenediamine, n,n’-bis(1-methylpropyl)-;1,4-benzenediamine, n,n'-bis(1-methylpropyl)-;p-phenylenediamine, n,n'-di-sec-butyl-;n,n'-di(butan-2-yl)benzene-1,4-diamine;n,n'-bis(1-methylpropyl)-1,4-benzenediamine","c1(NC(C)CC)ccc(NC(C)CC)cc1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Secondary aromatic amine","No alert found","No alert found","No alert found","No alert found"]
["101-96-2","n,n'-di-sec-butyl-p-phenylenediamine;n,n'-di-s-butyl-p-phenylenediamine;1,4-benzenediamine, n,n’-bis(1-methylpropyl)-;1,4-benzenediamine, n,n'-bis(1-methylpropyl)-;p-phenylenediamine, n,n'-di-sec-butyl-;n,n'-di(butan-2-yl)benzene-1,4-diamine;n,n'-bis(1-methylpropyl)-1,4-benzenediamine","c1(NC(C)CC)ccc(NC(C)CC)cc1","Negative",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","No alert found","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Secondary aromatic amine","No alert found","No alert found","No alert found","No alert found"]
["104-67-6","gamma-undecalactone;2(3h)-furanone, 5-heptyldihydro-;undecalactone, gamma-;undecan-4-olide;undecanoic acid, 4-hydroxy-, .gamma.-lactone;5-heptyldihydrofuran-2(3h)-one;5-heptyldihydro-2(3h)furanone;furanone mix (122301/122302) with d limonene;5-heptyldihydro-2(3h)-furanone;undecanoic acid, 4-hydroxy-, gamma-lactone;104-67-6","C1(=O)CCC(CCCCCCC)O1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"Michael addition|Michael addition >> alpha, beta-unsaturated carabonyl compounds|Michael addition >> alpha, beta-unsaturated carabonyl compounds >> Four- and Five-Membered Lactones|SN2|SN2 >> Ring opening SN2 reaction|SN2 >> Ring opening SN2 reaction >> Four- and Five-Membered Lactones","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor|Oxolane"]
["106-24-1","geraniol;2,6-octadien-1-ol, 3,7-dimethyl-, (2e)-;3,7-dimethyl-2,6-octadien-1-ol;2,6-octadien-1-ol, 3,7-dimethyl-, (e)-;(2e)-3,7-dimethylocta-2,6-dien-1-ol;(2e)-3,7-dimethyl-2,6-octadien-1-ol;3,7-dimethylocta-(e)-2,6-dien-1-ol;(e)-3,7-dimethyl-2,6-octadien-1-ol;106-24-1;(<i>e</i>)-form","C(C)(C)=CCCC(C)=CCO","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","N/A","YES","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["108-64-5","ethyl isovalerate;butanoic acid, 3-methyl-, ethyl ester;isovaleric acid, ethyl ester;ethyl 3-methylbutanoate;butyric acid, 3-methyl-, ethyl ester (6ci,7ci,8ci)","C(=O)(CC(C)C)OCC","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["108-70-3","1,3,5-trichlorobenzene;trichlorobenzene, 1,3,5-;1,3,5-tri-chlorobenzene;benzene, 1,3,5-trichloro-;108-70-3","c1(Cl)cc(Cl)cc(Cl)c1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["140-29-4","phenylacetic acid;phenylacetonitrile;benzeneacetonitrile;benzyl cyanide;acetonitrile, phenyl-;benzenediacetonitrile;benzyl cyanide,whenusedasafragrance ingredient;140-29-4;nitrile","c1(CC#N)ccccc1","Negative",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system hamster","No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes","No alert found","No alert found","No alert found","No alert found"]
["144-62-7","oxalic acid;ethanedioic acid;144-62-7","C(=O)(O)C(=O)O","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["584-84-9","benzene, 2,4-diisocyanato-1-methyl-;toluene, 2-, diisocyanate;toluene-2,4-diisocyanate;2,4-toluene diisocyanate;toluene diisocyanate (tdi);4-methyl-m-phenylene diisocyanate;isocyanic acid, 4-methyl-m-phenylene ester;toluene 2,4-diisocyanate;2,4-diisocyanato-1-methylbenzene;4methylmphenylenediisocyanate(toluene 2,4diisocyanate);2,4-diisocyanate-1-methylbenzene;isocyanic acid, 4-methyl-m-phenylene ester (8ci);584-84-9","c1(C)c(N=C=O)cc(N=C=O)cc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","Acylation|Acylation >> Isocyanates and Isothiocyanates|Acylation >> Isocyanates and Isothiocyanates >> Isocyanates","Isocyanate and isothiocyanate groups (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Isocyanate and isothiocyanate groups|Primary aromatic amine,hydroxyl amine and its derived esters","Isocyanate and isothiocyanate groups|Primary aromatic amine, hydroxyl amine and its derived esters"]
["5392-40-5","citral;2,6-octadienal, 3,7-dimethyl-;(2e)-3,7-dimethylocta-2,6-dienal;3,7-dimethyl-2,6-octadienal;3,7-dimethylocta-2,6-dienal;3,7-dimethyl-trans-2,6-octadienal","C(C)(=CC=O)CCC=C(C)C","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"Michael addition|Michael addition >> alpha, beta-unsaturated carabonyl compounds|Michael addition >> alpha, beta-unsaturated carabonyl compounds >> Alpha, Beta-Unsaturated Aldehydes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Alpha, Beta-Unsaturated Aldehydes","No alert found","alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity","Michael addition|Michael addition >> alpha, beta-unsaturated carabonyl compounds|No alert found|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers","alpha,beta-unsaturated carbonyls","alpha,beta-unsaturated carbonyls"]
["101-68-8","benzene, 1,1'-methylenebis[4-isocyanato-;4,4'-methylenediphenyl diisocyanate;diphenyl methane diisocyanate;4,4'-diphenylmethane diisocyanate;diphenylmethane diisocyanate (mdi);benzene, 1,1'-methylenebis 4-isocyanato-;benzene, 1,1’-methylenebis[4-isocyanato-;isocyanic acid, methylenedi-p-phenylene ester;benzene, 1,1'-methylenebisХ4-isocyanato-;1,1'-methanediylbis(4-isocyanatobenzene);1,1'-methylenebis[4-isocyanato]benzene;1,1'-methylenebis(4-isocyanatobenzene);101-68-8","c1(N=C=O)ccc(Cc2ccc(N=C=O)cc2)cc1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","Acylation|Acylation >> Isocyanates and Isothiocyanates|Acylation >> Isocyanates and Isothiocyanates >> Isocyanates","Isocyanate and isothiocyanate groups (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Isocyanate and isothiocyanate groups|Primary aromatic amine,hydroxyl amine and its derived esters","Isocyanate and isothiocyanate groups|Primary aromatic amine, hydroxyl amine and its derived esters"]
["101-68-8","benzene, 1,1'-methylenebis[4-isocyanato-;4,4'-methylenediphenyl diisocyanate;diphenyl methane diisocyanate;4,4'-diphenylmethane diisocyanate;diphenylmethane diisocyanate (mdi);benzene, 1,1'-methylenebis 4-isocyanato-;benzene, 1,1’-methylenebis[4-isocyanato-;isocyanic acid, methylenedi-p-phenylene ester;benzene, 1,1'-methylenebisХ4-isocyanato-;1,1'-methanediylbis(4-isocyanatobenzene);1,1'-methylenebis[4-isocyanato]benzene;1,1'-methylenebis(4-isocyanatobenzene);101-68-8","c1(N=C=O)ccc(Cc2ccc(N=C=O)cc2)cc1","Positive",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","No alert found","Acylation|Acylation >> Isocyanates and Isothiocyanates|Acylation >> Isocyanates and Isothiocyanates >> Isocyanates","Isocyanate and isothiocyanate groups (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Isocyanate and isothiocyanate groups|Primary aromatic amine,hydroxyl amine and its derived esters","Isocyanate and isothiocyanate groups|Primary aromatic amine, hydroxyl amine and its derived esters"]
["106-27-4","isoamyl butyrate;isopentyl butanoate;3-methylbutyl butyrate;butanoic acid, 3-methylbutyl ester;butyric acid, isopentyl ester;3-methylbutyl butanoate","C(=O)(CCC)OCCC(C)C","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["108-31-6","maleic anhydride;2,5-furandione;malic anhydride;furan-2,5-dione;108-31-6","C1(=O)C=CC(=O)O1","Positive",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","No alert found","No alert found","alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","alpha,beta-unsaturated carbonyls","alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor"]
["108-31-6","maleic anhydride;2,5-furandione;malic anhydride;furan-2,5-dione;108-31-6","C1(=O)C=CC(=O)O1","Negative",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system hamster","No alert found","No alert found","alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","alpha,beta-unsaturated carbonyls","alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor"]
["555-30-6","methyl dopa;(s)-2-amino-3-(3,4-dihydroxy-phenyl)-2-methyl-propionic acid;methyldopa;2-methyl-3-(3,4-dihydroxyphenyl)-l-alanine;l-tyrosine, 3-hydroxy-?-methyl-;l-tyrosine, 3-hydroxy-.alpha.-methyl-;methyldopa anhydrous;3-hydroxy-n-methyltyrosine;alanine, 3-(3,4-dihydroxyphenyl)-2-methyl-, l-(-)-;555-30-6","C(=O)(O)C(C)(N)Cc1cc(O)c(O)cc1","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Alkyl phenols|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["54-12-6","dl-tryptophan;(r)-2-amino-3-(1h-indol-3-yl)-propionic acid;tryptophan;d,l-tryptophan","C1(CC(N)C(=O)O)c2c(cccc2)NC=1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["59-30-3","folic acid;l-glutamic acid, n-[4-[[(2-amino-1,4-dihydro-4-oxo-6-pteridinyl)methyl]amino]benzoyl]-;n-[(4-{[(2-amino-4-oxo-1,4-dihydropteridin-6-yl)methyl]amino}phenyl)carbonyl]-l-glutamic acid","C(=O)(c1ccc(NCc2cnc3c(c(O)nc(N)n3)n2)cc1)NC(C(=O)O)CCC(=O)O","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality, Conflict","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Secondary aromatic amine","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","Primary aromatic amine,hydroxyl amine and its derived esters","H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters"]
["58-55-9","theophylline;theophyllin;theophilline;1h-purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-;1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione","C1(=O)C2=C(N(C)C(=O)N1C)NC=N2","Negative",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives","SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","Imidazole, benzimidazole (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["458-37-7","curcumin;turmeric (>98% curcurmin);1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione;1,6-heptadiene-3,5-dione, 1,7-bis(4-hydroxy-3-methoxyphenyl)-, (e,e)-;1,6-heptadiene-3,5-dione, 1,7-bis(4-hydroxy-3-methoxyphenyl)-, (1e,6e)-;(1e,6e)-1,7-bis[4-hydroxy-3-(methyloxy)phenyl]hepta-1,6-diene-3,5-dione;kachahaldi","c1(O)c(OC)cc(C=CC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2)cc1","Positive",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["458-37-7","curcumin;turmeric (>98% curcurmin);1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione;1,6-heptadiene-3,5-dione, 1,7-bis(4-hydroxy-3-methoxyphenyl)-, (e,e)-;1,6-heptadiene-3,5-dione, 1,7-bis(4-hydroxy-3-methoxyphenyl)-, (1e,6e)-;(1e,6e)-1,7-bis[4-hydroxy-3-(methyloxy)phenyl]hepta-1,6-diene-3,5-dione;kachahaldi","c1(O)c(OC)cc(C=CC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2)cc1","Negative",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system hamster","No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["62450-07-1","3-amino-1-methyl-5h-pyrido[4,3-b]indole;trp-p-2 acetate;1-methyl-5h-pyrido[4,3-b]indol-3-amine;5h-pyrido(4,3-b)indole, 3-amino-1-methyl-","c12-c3c(cc(N)nc3C)Nc1cccc2","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Moderate Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Heterocyclic Polycyclic Aromatic Hydrocarbons|Primary aromatic amine,hydroxyl amine and its derived esters","Heterocyclic Polycyclic Aromatic Hydrocarbons|Primary aromatic amine, hydroxyl amine and its derived esters"]
["62450-07-1","3-amino-1-methyl-5h-pyrido[4,3-b]indole;trp-p-2 acetate;1-methyl-5h-pyrido[4,3-b]indol-3-amine;5h-pyrido(4,3-b)indole, 3-amino-1-methyl-","c12-c3c(cc(N)nc3C)Nc1cccc2","Positive",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Moderate Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Heterocyclic Polycyclic Aromatic Hydrocarbons|Primary aromatic amine,hydroxyl amine and its derived esters","Heterocyclic Polycyclic Aromatic Hydrocarbons|Primary aromatic amine, hydroxyl amine and its derived esters"]
["154-93-8","n,n'-bis(2-chloroethyl)-n-nitrosourea;carmustine;1,3-bis(2-chloroet)-1-nitrosourea;urea, n,n'-bis(2-chloroethyl)-n-nitroso-;1,3-bis(2-chloroethyl)-1-nitrosourea;154-93-8","C(=O)(N(CCCl)N=O)NCCCl","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives|SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Nitrogen Mustards","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> Mustards|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2","Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives","Alkyl and aryl N-nitroso groups","Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor"]
["72-20-8","2,7:3,6-dimethanonaphth[2,3-b]oxirene, 3,4,5,6,9,9-hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-, (1ar,2r,2ar,3r,6s,6as,7s,7as)-rel-;endrin;3,4,5,6,9,9-hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-2,7:3,6-dimethanonaphtho[2,3-b]oxirene;2,7:3,6-dimethanonaphth[2,3-b]oxirene, 3,4,5,6,9,9-hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-, (1a.alpha.,2.beta.,2a.beta.,3.alpha.,6.alpha.,6a.beta.,7.beta.,7a.alpha.)-;(1r,4s,5r,8s)1,2,3,4,10,10hexachloro6,7epoxy1,4,4a,5,6,7,8,8aoctahydro1,4:5,8dimethanonaphthalene(endriniso);3,4,5,6,9,9-hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-[2,7:3,6-dimethanonaphth[2,3-b]oxirene,[1a alpha,2 beta,2a beta,3 alpha,6 alpha,6a beta,7 beta,7a alpha];endrin (cancelled in u.s.);endrin/methyl parathion ec formulation;2,7:3,6-dimethanonaphth(2,3-b)oxirene, 3,4,5,6,9,9-hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-, (1aalpha,2beta,2abeta,3alpha,6alpha,6abeta,7beta,7aalpha)-","C12(Cl)C(Cl)(Cl)C(Cl)(C(Cl)=C1Cl)C1C3C4C(C(C21)C3)O4","Negative",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation >> Vicinal Dihaloalkanes|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives","SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides","(Poly) Halogenated Cycloalkanes (Nongenotox)|Epoxides and aziridines (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives","Epoxides and aziridines","Epoxides and aziridines"]
["78-43-3","tris(dichloropropyl)phosphate;tris(2,3-dichloropropyl) phosphate;1-propanol, 2,3-dichloro-, phosphate (3:1)","C(Cl)(COP(=O)(OCC(Cl)CCl)OCC(Cl)CCl)CCl","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"SN2|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation >> Vicinal Dihaloalkanes|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates","SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> 1,2-Dihaloalkanes","Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid (Genotox)|Structural alert for genotoxic carcinogenicity","SN2|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation >> Vicinal Dihaloalkanes|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates","Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid","Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid|H-acceptor-path3-H-acceptor"]
["78-43-3","tris(dichloropropyl)phosphate;tris(2,3-dichloropropyl) phosphate;1-propanol, 2,3-dichloro-, phosphate (3:1)","C(Cl)(COP(=O)(OCC(Cl)CCl)OCC(Cl)CCl)CCl","Positive",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","SN2|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation >> Vicinal Dihaloalkanes|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates","SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> 1,2-Dihaloalkanes","Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid (Genotox)|Structural alert for genotoxic carcinogenicity","SN2|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation >> Vicinal Dihaloalkanes|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates","Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid","Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid|H-acceptor-path3-H-acceptor"]
["78-43-3","tris(dichloropropyl)phosphate;tris(2,3-dichloropropyl) phosphate;1-propanol, 2,3-dichloro-, phosphate (3:1)","C(Cl)(COP(=O)(OCC(Cl)CCl)OCC(Cl)CCl)CCl","Negative",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system hamster","SN2|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation >> Vicinal Dihaloalkanes|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates","SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> 1,2-Dihaloalkanes","Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid (Genotox)|Structural alert for genotoxic carcinogenicity","SN2|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation >> Vicinal Dihaloalkanes|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates","Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid","Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid|H-acceptor-path3-H-acceptor"]
["5160-02-01","d&c red 9;benzenesulfonic acid, 5-chloro-2-[(2-hydroxy-1-naphthalenyl)azo]-4-methyl-, barium salt (2:1);barium bis{5-chloro-2-[(e)-(2-hydroxynaphthalen-1-yl)diazenyl]-4-methylbenzenesulfonate}","c1(O)c(N=Nc2c(S(=O)(=O)O)cc(Cl)c(C)c2)c2c(cccc2)cc1","Negative",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality, Conflict","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","No alert found","Aromatic diazo (Genotox)|Benzenesulfonic ethers, methylation (Nongenotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity","No alert found","Aromatic diazo","Aromatic diazo|H-acceptor-path3-H-acceptor"]
["12789-03-6","chlordane;chlordane-technical;chlordane (technical);chlordane (technical grade)","C12(Cl)C(Cl)(Cl)C(Cl)(C(Cl)=C1Cl)C1C(Cl)C(Cl)CC21","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation >> Vicinal Dihaloalkanes|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives","SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> 1,2-Dihaloalkanes","(Poly) Halogenated Cycloalkanes (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives","No alert found","No alert found"]
["68006-83-7","2-amino-3-methyl-9h-pyrido[2,3-b]indole;2-amino-3-methyl-9h-pyrido[2,3-b]indole acetate;9h-pyrido(2,3-b)indole, 2-amino-3-methyl-","c12-c3c(cccc3)Nc1nc(N)c(C)c2","Positive",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Moderate Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","No alert found","Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Heterocyclic Polycyclic Aromatic Hydrocarbons|Primary aromatic amine,hydroxyl amine and its derived esters","Heterocyclic Polycyclic Aromatic Hydrocarbons|Primary aromatic amine, hydroxyl amine and its derived esters"]
["42397-64-8","1,6-dinitropyrene;pyrene, 1,6-dinitro-","c1(N(=O)=O)c2c3c4c(c(N(=O)=O)ccc4cc2)ccc3cc1","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro","Nitro-aromatic (Genotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","Nitro-aromatic|Polycyclic Aromatic Hydrocarbons","Nitro-aromatic|Polycyclic Aromatic Hydrocarbons"]
["42397-64-8","1,6-dinitropyrene;pyrene, 1,6-dinitro-","c1(N(=O)=O)c2c3c4c(c(N(=O)=O)ccc4cc2)ccc3cc1","Positive",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system hamster","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro","Nitro-aromatic (Genotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","Nitro-aromatic|Polycyclic Aromatic Hydrocarbons","Nitro-aromatic|Polycyclic Aromatic Hydrocarbons"]
["54-88-6","2-methyl-4-(dimethylamino)azobenzene;2-methyl-4-dimethylaminoazobenzene;n,n-dimethyl-4-(phenylazo)-m-toluidine;n,n,3-trimethyl-4-(phenyldiazenyl)aniline;benzenamine, n,n,3-trimethyl-4-(phenylazo)- (9ci)","c1(N=Nc2ccccc2)c(C)cc(N(C)C)cc1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic azo|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine","Aromatic diazo (Genotox)|Aromatic mono-and dialkylamine (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Aromatic diazo|Aromatic mono-and dialkylamine","Aromatic diazo|Aromatic mono- and dialkylamine|H-acceptor-path3-H-acceptor"]
["54-88-6","2-methyl-4-(dimethylamino)azobenzene;2-methyl-4-dimethylaminoazobenzene;n,n-dimethyl-4-(phenylazo)-m-toluidine;n,n,3-trimethyl-4-(phenyldiazenyl)aniline;benzenamine, n,n,3-trimethyl-4-(phenylazo)- (9ci)","c1(N=Nc2ccccc2)c(C)cc(N(C)C)cc1","Positive",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","No alert found","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic azo|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine","Aromatic diazo (Genotox)|Aromatic mono-and dialkylamine (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Aromatic diazo|Aromatic mono-and dialkylamine","Aromatic diazo|Aromatic mono- and dialkylamine|H-acceptor-path3-H-acceptor"]
["74-88-4","methyl iodide;iodomethane;methane, iodo-;iodomethane(methyliodide);74-88-4","CI","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Monohaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Monohaloalkanes|SN2 >> Ring opening SN2 reaction|SN2 >> Ring opening SN2 reaction >> Monohaloalkanes","SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides","Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Monohaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Monohaloalkanes|SN2 >> Ring opening SN2 reaction|SN2 >> Ring opening SN2 reaction >> Monohaloalkanes","Aliphatic halogens","Aliphatic halogen"]
["502-44-3","e-caprolactone;caprolactone;2-oxepanone;ε-caprolactone;hexan-6-olide;hexanoic acid, 6-hydroxy-, lactone;oxepan-2-one;hexanoic acid, epsilon-lactone;502-44-3;epsilon-caprolactone","C1(=O)CCCCCO1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["502-44-3","e-caprolactone;caprolactone;2-oxepanone;ε-caprolactone;hexan-6-olide;hexanoic acid, 6-hydroxy-, lactone;oxepan-2-one;hexanoic acid, epsilon-lactone;502-44-3;epsilon-caprolactone","C1(=O)CCCCCO1","Positive",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["16561-29-8","12-o-tetradecanoyl phobol-13­acetate (tpa);myristic acid, 9-ester with 1,1a-alpha,1b-beta,4,4a,7a-alpha,7b,8,9,9a-decahydro;tetradecanoic acid, (1ar,1bs,4ar,7as,7bs,8r,9r,9as)-9a-(acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1h-cyclopropa[3,4]benz[1,2-e]azulen-9-yl ester;phorbol myristate acetate (pma);tetradecanoic acid (1ar,1bs,4ar,7as,7bs,8r,9r,9as)-9a-(acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1h-cyclopropa[3,4]benz[1,2-e]azulen-9-yl ester;tetradecanoic acid, 9a-(acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1h-cyclopropa(3,4)benz(1,2-e)azulen-9-yl ester, (1ar-(1aalpha,1bbeta,4abeta,7aalpha,7balpha,8alpha,9beta,9aalpha))-;4,9,12,13,20-pentahydroxy-1,6-tigliadien-3-one;(4?,9?,12?,13?)-form, 12-tetradecanoyl, 13-ac","C1(C)C(=O)C2(O)C(C3(O)C(C)C(OC(=O)CCCCCCCCCCCCC)C4(OC(C)=O)C(C)(C)C4C3C=C(CO)C2)C=1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Specific Acetate Esters|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Specific Acetate Esters|SN2|SN2 >> Acylating agents|SN2 >> Acylating agents >> Specific Acetate Esters|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Specific Acetate Esters","No alert found","alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity","Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Specific Acetate Esters|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Specific Acetate Esters|SN2|SN2 >> Acylating agents|SN2 >> Acylating agents >> Specific Acetate Esters|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Specific Acetate Esters","alpha,beta-unsaturated carbonyls","alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor"]
["34807-41-5","mezerein","C1(C)C(=O)C2(O)C(C34C(C)C(OC(=O)C=CC=Cc5ccccc5)C5(C(=C)C)C(C3C3C(CO)(C2O)O3)OC(c2ccccc2)(O5)O4)C=1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated esters|SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides","alpha,beta-unsaturated carbonyls (Genotox)|Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines","alpha,beta-unsaturated carbonyls|Epoxides and aziridines","alpha,beta-unsaturated carbonyls|Epoxides and aziridines|H-acceptor-path3-H-acceptor"]
["57716-89-9","4-o-methyl-12-o-tetradecanoylphorbol-13-acetate;4-o-methyl-12-o-tetradecanoyl-phorbol-13-acetate","C1(C)C(=O)C2(OC)C(C3(O)C(C)C(OC(=O)CCCCCCCCCCCCC)C4(OC(C)=O)C(C)(C)C4C3C=C(CO)C2)C=1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Specific Acetate Esters|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Specific Acetate Esters|SN2|SN2 >> Acylating agents|SN2 >> Acylating agents >> Specific Acetate Esters|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Specific Acetate Esters","No alert found","alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity","Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Specific Acetate Esters|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Specific Acetate Esters|SN2|SN2 >> Acylating agents|SN2 >> Acylating agents >> Specific Acetate Esters|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Specific Acetate Esters","alpha,beta-unsaturated carbonyls","alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor"]
["50-37-3","lsd;lysergide;(8beta)-n,n-diethyl-6-methyl-9,10-didehydroergoline-8-carboxamide;lysergide(inn) (lsd)anditssalts;(8 beta)-9,10-didehydro-n,n-diethyl-6-methylergoline-8-carboxamide","C12c3c(C4C(C1)N(C)CC(C(=O)N(CC)CC)C=4)cccc3NC=2","Positive",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","N/A","YES","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","No alert found","SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["50-70-4","d-sorbitol;(2r,3r,4r,5s)-hexane-1,2,3,4,5,6-hexaol;mannitol;d-glucitol;sorbitol;glucitol, d-;50-70-4;glucitol;<small>d</small>-form","C(O)(C(O)C(O)C(O)CO)CO","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["123-92-2","isoamyl acetate;isopentyl acetate;1-butanol, 3-methyl-, acetate;3-methylbutyl acetate;123-92-2","C(C)(=O)OCCC(C)C","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Specific Acetate Esters|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Specific Acetate Esters|SN2|SN2 >> Acylating agents|SN2 >> Acylating agents >> Specific Acetate Esters|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Specific Acetate Esters","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["52-89-1","l-cysteine hydrochloride;l-cysteine, hydrochloride","C(=O)(O)C(N)CS","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality, Conflict","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"Radical|Radical >> Generation of reactive oxygen species|Radical >> Generation of reactive oxygen species >> Thiols","No alert found","No alert found","Radical|Radical >> Generation of reactive oxygen species|Radical >> Generation of reactive oxygen species >> Thiols","No alert found","H-acceptor-path3-H-acceptor"]
["95-54-5","1,2-phenylenediamine (2-aminoaniline);o-phenylenediamine;benzene-1,2-diamine;1,2-benzenediamine;o-phenylenediamine dihydrochloride;2-amino-aniline;1,2-diaminobenzene;ophenylenediamineanditssalts;1,2-diamino benzene;2-phenylene diamine","c1(N)c(N)cccc1","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","Primary aromatic amine,hydroxyl amine and its derived esters","H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters"]
["95-54-5","1,2-phenylenediamine (2-aminoaniline);o-phenylenediamine;benzene-1,2-diamine;1,2-benzenediamine;o-phenylenediamine dihydrochloride;2-amino-aniline;1,2-diaminobenzene;ophenylenediamineanditssalts;1,2-diamino benzene;2-phenylene diamine","c1(N)c(N)cccc1","Negative",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","Primary aromatic amine,hydroxyl amine and its derived esters","H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters"]
["95-54-5","1,2-phenylenediamine (2-aminoaniline);o-phenylenediamine;benzene-1,2-diamine;1,2-benzenediamine;o-phenylenediamine dihydrochloride;2-amino-aniline;1,2-diaminobenzene;ophenylenediamineanditssalts;1,2-diamino benzene;2-phenylene diamine","c1(N)c(N)cccc1","Positive",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system hamster","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","Primary aromatic amine,hydroxyl amine and its derived esters","H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters"]
["94-36-0","benzoyl peroxide;peroxide, dibenzoyl;novadelox (18% benzoyl peroxide, 78% calcium sulphate, 4% magnesium carbonate);dibenzoyl peroxide;diphenylperoxyanhydride;benzoylperoxide;novadelox;94-36-0","C(=O)(c1ccccc1)OOC(=O)c1ccccc1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Organic Peroxy Compounds","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["1024-57-3","heptachlor epoxide;2,3,4,5,6,7,7-heptachloro-1a,1b,5,5a,6,6a,-hexahydro-(2a alpha, 1b beta, 2 alpha, 5 alpha, 5a beta, 6 beta, 6a alpha-2,5-methano-2h-indeno[1,2-b]oxirene;2,3,4,5,6,7,7-heptachloro-1b,2,5,5a,6,6a-hexahydro-1ah-2,5-methanoindeno[1,2-b]oxirene;2,5-methano-2h-indeno[1,2-b]oxirene, 2,3,4,5,6,7,7-heptachloro-1a,1b,5,5a,6,6a-hexahydro-, (1a.alpha.,1b.beta.,2.alpha.,5.alpha.,5a.beta.,6.beta.,6a.alpha.)-;heptachlorepoxide;2,5-methano-2h-indeno(1,2-b)oxirene, 2,3,4,5,6,7,7-heptachloro-1a,1b,5,5a,6,6a-hexahydro-, (1aalpha,1bbeta,2alpha,5alpha,5abeta,6beta,6aalpha)-;1024-57-3","C12(Cl)C(Cl)(Cl)C(Cl)(C(Cl)=C1Cl)C1C(Cl)C3C(C21)O3","Negative",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation >> Vicinal Dihaloalkanes|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives","SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides","(Poly) Halogenated Cycloalkanes (Nongenotox)|Epoxides and aziridines (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives","Epoxides and aziridines","Epoxides and aziridines"]
["115-77-5","1,3-propanediol, 2,2-bis(hydroxymethyl)-;pentaerythritol;2,2-bis(hydroxymethyl)-1,3-propanediol;pentaerythritol\"\"\";pentaerytritol;2,2-bis(hydroxymethyl)propane-1,3-diol;pentaerythritol\"","C(CO)(CO)(CO)CO","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["115-77-5","1,3-propanediol, 2,2-bis(hydroxymethyl)-;pentaerythritol;2,2-bis(hydroxymethyl)-1,3-propanediol;pentaerythritol\"\"\";pentaerytritol;2,2-bis(hydroxymethyl)propane-1,3-diol;pentaerythritol\"","C(CO)(CO)(CO)CO","Negative",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["62-56-6","thiourea;urea, thio-;pseudourea, 2-thio-;urea, thio- (8ci);62-56-6","C(N)(N)=S","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives","No alert found","Structural alert for nongenotoxic carcinogenicity|Thiocarbonyl (Nongenotox)","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["156-43-4","benzenamine, 4-ethoxy-;4-ethoxyaniline;p-phenetidine;4-ethoxy-phenylamine;p-ethoxyaniline;4-ethoxybenzenamine;4-ethoxy-aniline;phenetidine;pphenetidine(4ethoxyaniline);156-43-4","c1(OCC)ccc(N)cc1","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Primary aromatic amine,hydroxyl amine and its derived esters","Primary aromatic amine, hydroxyl amine and its derived esters"]
["156-43-4","benzenamine, 4-ethoxy-;4-ethoxyaniline;p-phenetidine;4-ethoxy-phenylamine;p-ethoxyaniline;4-ethoxybenzenamine;4-ethoxy-aniline;phenetidine;pphenetidine(4ethoxyaniline);156-43-4","c1(OCC)ccc(N)cc1","Positive",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Primary aromatic amine,hydroxyl amine and its derived esters","Primary aromatic amine, hydroxyl amine and its derived esters"]
["101-70-2","benzenamine, 4-methoxy-n-(4-methoxyphenyl)-;4,4'-dimethoxydiphenylamine;n-(4-methoxyphenyl)-p-anisidine;diphenylamine, 4,4'-dimethoxy-;4-methoxy-n-(4-methoxyphenyl)aniline;101-70-2","c1(OC)ccc(Nc2ccc(OC)cc2)cc1","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["101-70-2","benzenamine, 4-methoxy-n-(4-methoxyphenyl)-;4,4'-dimethoxydiphenylamine;n-(4-methoxyphenyl)-p-anisidine;diphenylamine, 4,4'-dimethoxy-;4-methoxy-n-(4-methoxyphenyl)aniline;101-70-2","c1(OC)ccc(Nc2ccc(OC)cc2)cc1","Positive",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["542-18-7","cyclohexane, chloro-;chlorocyclohexane;Ｃｈｌｏｒｏｃｙｃｌｏｈｅｘａｎｅ","C1(Cl)CCCCC1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides","(Poly) Halogenated Cycloalkanes (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","No alert found"]
["542-18-7","cyclohexane, chloro-;chlorocyclohexane;Ｃｈｌｏｒｏｃｙｃｌｏｈｅｘａｎｅ","C1(Cl)CCCCC1","Negative",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","No alert found","SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides","(Poly) Halogenated Cycloalkanes (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","No alert found"]
["19666-30-9","3-[2,4-dichloro-5-(1-methylethoxy)phenyl]-5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2(3h)-one;2-tert-butyl-4-(2,4-dichloro-5-isopropoxyphenyl)-1,3,4-oxadiazolin-5-one;oxadiazon;oxadiazone;5-tert-butyl-3-(2,4-dichloro-5-isopropoxyphenyl)-1,3,4-oxadiazol-2(3h)-one;1,3,4-oxadiazol-2(3h)-one, 3-[2,4-dichloro-5-(1-methylethoxy)phenyl]-5-(1,1-dimethylethyl)-;1,3,4-oxadiazol-2(3h)-one, 3-(2,4-dichloro-5-(1-methylethoxy)phenyl)-5-(1,1-dimethylethyl)-","C1(C(C)(C)C)=NN(c2c(Cl)cc(Cl)c(OC(C)C)c2)C(=O)O1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Hydrazine","H-acceptor-path3-H-acceptor|Hydrazine"]
["19666-30-9","3-[2,4-dichloro-5-(1-methylethoxy)phenyl]-5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2(3h)-one;2-tert-butyl-4-(2,4-dichloro-5-isopropoxyphenyl)-1,3,4-oxadiazolin-5-one;oxadiazon;oxadiazone;5-tert-butyl-3-(2,4-dichloro-5-isopropoxyphenyl)-1,3,4-oxadiazol-2(3h)-one;1,3,4-oxadiazol-2(3h)-one, 3-[2,4-dichloro-5-(1-methylethoxy)phenyl]-5-(1,1-dimethylethyl)-;1,3,4-oxadiazol-2(3h)-one, 3-(2,4-dichloro-5-(1-methylethoxy)phenyl)-5-(1,1-dimethylethyl)-","C1(C(C)(C)C)=NN(c2c(Cl)cc(Cl)c(OC(C)C)c2)C(=O)O1","Negative",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","No alert found","No alert found","Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Hydrazine","H-acceptor-path3-H-acceptor|Hydrazine"]
["76-87-9","stannane, hydroxytriphenyl-;triphenyltin hydroxide;fentin hydroxide;triphenyltin hydroxidestannane, hydroxytriphenyl-;fentin;triphenylstannanol;fentinhydroxide;hydroxytriphenylstannane;triphenyltin  hydroxide (tpth)","c1([Sn](O)(c2ccccc2)c2ccccc2)ccccc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["24019-05-4","sulcofuron;n-(3,4-dichlorophenyl)-n'-(2'-(4\"\"-chloro-2\"\"-sulfophenoxy)-5'-chlorophenyl) urea\";n-(3,4-dichlorophenyl)-n'-[2'-(4\"-chloro-2\"-sulf;mitin ff;n-(3,4-dichlorophenyl)-n''-(2''-(4''''-chloro-2''''-sulfophenoxy)-5''-chlorophenyl) urea","c1(Cl)c(Cl)cc(NC(=O)Nc2c(Oc3c(S(=O)(=O)O)cc(Cl)cc3)ccc(Cl)c2)cc1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Moderate Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic phenylureas","Halogenated PAH (naphthalenes, biphenyls, diphenyls) (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","1-phenoxy-benzene|H-acceptor-path3-H-acceptor"]
["1212-29-9","thiourea, n,n'-dicyclohexyl-;n,n'-dicyclohexylthiourea;n,n’-dicyclohexylthiourea;1,3-(dicyclohexyl)thiourea;urea, 1,3-dicyclohexyl-2-thio-;1,3-dicyclohexylthiourea","C(=S)(NC1CCCCC1)NC1CCCCC1","Negative",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives","No alert found","Structural alert for nongenotoxic carcinogenicity|Thiocarbonyl (Nongenotox)","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["101-67-7","benzenamine, 4-octyl-n-(4-octylphenyl)-;4,4'-dioctyldiphenylamine;bis(4-octylphenyl)amine;4-octyl-n-(4-octylphenyl)benzenamine;diphenylamine, 4,4'-dioctyl-;4-octyl-n-(4-octylphenyl)aniline;diphenylamine, 4,4'-dioctyl- (8ci)","c1(Nc2ccc(CCCCCCCC)cc2)ccc(CCCCCCCC)cc1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["101-67-7","benzenamine, 4-octyl-n-(4-octylphenyl)-;4,4'-dioctyldiphenylamine;bis(4-octylphenyl)amine;4-octyl-n-(4-octylphenyl)benzenamine;diphenylamine, 4,4'-dioctyl-;4-octyl-n-(4-octylphenyl)aniline;diphenylamine, 4,4'-dioctyl- (8ci)","c1(Nc2ccc(CCCCCCCC)cc2)ccc(CCCCCCCC)cc1","Negative",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["78-70-6","linalool;linalool synthetic;1,6-octadien-3-ol, 3,7-dimethyl-;1,6-octadien-3-ol, 3,7-dimethyl-, (r)-;3,7-dimethylocta-1,6-dien-3-ol;3-7-dimethyl-1,6-octadien-3-ol;(1)-3,7-dimethyl-1,6-octadien-3-ol;3,7-dimethyl-1,6-octadien-3-ol","C(C)(O)(C=C)CCC=C(C)C","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["100-21-0","terephthalic acid;1,4-benzenedicarboxylic acid;terephthalic acid (tpa);benzene-1,4-dicarboxylic acid;terephtalic acid","C(=O)(O)c1ccc(C(=O)O)cc1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["156-59-2","cis-1,2-dichloroethylene;ethene, 1,2-dichloro-, (1z)-;1,2-dichloroethene (cis);cis-1,2-dichloroethene;cis-dichloroethylene;(z)-1,2-dichloroethene;ethene, 1,2-dichloro-, (z)-;(1z)-1,2-dichloroethene;ethene, 1,2-dichloro-, (z)- (9ci)","C(Cl)=CCl","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["156-59-2","cis-1,2-dichloroethylene;ethene, 1,2-dichloro-, (1z)-;1,2-dichloroethene (cis);cis-1,2-dichloroethene;cis-dichloroethylene;(z)-1,2-dichloroethene;ethene, 1,2-dichloro-, (z)-;(1z)-1,2-dichloroethene;ethene, 1,2-dichloro-, (z)- (9ci)","C(Cl)=CCl","Negative",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["25013-16-5","phenol, (1,1-dimethylethyl)-4-methoxy-;butylated hydroxyanisole;2-tert-butyl-4-methoxyphenol;tert-butyl-4-methoxyphenol;1,1-dimethylethyl-4-methoxyphenol;t-butylhydroxyanisole;25013-16-5","C(C)(C)(C)c1c(O)ccc(OC)c1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones","No alert found","No alert found","No alert found","No alert found"]
["26087-47-8","ibp;phosphorothioic acid, o,o-bis(1-methylethyl)s-(phenylmethyl)ester;ibp (iprobenfos);s-benzyl o,o-di-isopropyl phosphorothioate;s-benzyl diisopropyl phosphorothioate;s-benzyl o,o-diisopropyl phosphorothioate;iprobenfos;phosphorothioic acid, s-benzyl o,o-diisopropyl ester;26087-47-8","c1(CSP(=O)(OC(C)C)OC(C)C)ccccc1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes","Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid (Genotox)|Structural alert for genotoxic carcinogenicity","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates","Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid","Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid|H-acceptor-path3-H-acceptor"]
["609-19-8","3,4,5-trichlorophenol;trichlorophenol, 3,4,5-;3,4,5-trichloro-phenol;phenol, 3,4,5-trichloro-","c1(Cl)c(Cl)c(Cl)cc(O)c1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["111-92-2","dibutylamine;dibutyl-amine;1-butanamine, n-butyl-;n-butyl-1-butanamine;di-n-butylamine;1-butylaminobutane;n-butylbutan-1-amine;di--n-butylamine;111-92-2","C(CCC)NCCCC","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["933-75-5","2,3,6-trichlorophenol;trichlorophenol, 2,3,6-;2,3,6-trichloro-phenol;phenol, 2,3,6-trichloro-","c1(Cl)c(Cl)c(O)c(Cl)cc1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["933-75-5","2,3,6-trichlorophenol;trichlorophenol, 2,3,6-;2,3,6-trichloro-phenol;phenol, 2,3,6-trichloro-","c1(Cl)c(Cl)c(O)c(Cl)cc1","Positive",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["933-78-8","2,3,5-trichlorophenol;trichlorophenol, 2,3,5-;2,3,5-trichloro-phenol;phenol, 2,3,5-trichloro-","c1(Cl)c(Cl)c(O)cc(Cl)c1","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["933-78-8","2,3,5-trichlorophenol;trichlorophenol, 2,3,5-;2,3,5-trichloro-phenol;phenol, 2,3,5-trichloro-","c1(Cl)c(Cl)c(O)cc(Cl)c1","Negative",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system hamster","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["15950-66-0","2,3,4-trichlorophenol;chlorophenol, 2,3,4-;trichlorophenol, 2,3,4-;2,3,4-trichloro-phenol;phenol, 2,3,4-trichloro-","c1(Cl)c(Cl)c(Cl)c(O)cc1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["62-55-5","thioacetamide;ethanethioic acid;ethanethioamide;acetamide, thio-;acetimidic acid, thio-;acetamide, thio- (van) (8ci);62-55-5;<i>oh</i>-form, amide","C(C)(N)=S","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","Structural alert for nongenotoxic carcinogenicity|Thiocarbonyl (Nongenotox)","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["62-55-5","thioacetamide;ethanethioic acid;ethanethioamide;acetamide, thio-;acetimidic acid, thio-;acetamide, thio- (van) (8ci);62-55-5;<i>oh</i>-form, amide","C(C)(N)=S","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","No alert found","Structural alert for nongenotoxic carcinogenicity|Thiocarbonyl (Nongenotox)","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["103-85-5","thiourea,;1-phenyl-2-thiourea;n-phenylthiourea;phenyl-2-thiourea;thiourea, phenyl-;urea, 1-phenyl-2-thio-;1-phenylthiourea;n-phenylthiourea,;phenyl thiourea;103-85-5","c1(NC(N)=S)ccccc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives","No alert found","Structural alert for nongenotoxic carcinogenicity|Thiocarbonyl (Nongenotox)","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["105-55-5","urea,;n,n'-diethylthiourea;n,n-diethylthiourea;n,n’-diethylthiourea;diethylthiourea, n,n'-;1,3-diethylthiourea;1,3-diethyl-2-thiourea;thiourea, n,n’-diethyl-;thiourea, n,n'-diethyl-;urea, 1,3-diethyl-2-thio-;105-55-5","C(=S)(NCC)NCC","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives","No alert found","Structural alert for nongenotoxic carcinogenicity|Thiocarbonyl (Nongenotox)","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["536-90-3","m-anisidine (3-methoxyaniline);m-anisidine;3-methoxy-phenylamine;benzenamine, 3-methoxy-;m-methoxyaniline;3-methoxybenzenamine;3-methoxy-aniline;3-anisidine;3-methoxyaniline;3-benzoxyaniline;3-methoxybenzeneamine","c1(OC)cc(N)ccc1","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Primary aromatic amine,hydroxyl amine and its derived esters","Primary aromatic amine, hydroxyl amine and its derived esters"]
["536-90-3","m-anisidine (3-methoxyaniline);m-anisidine;3-methoxy-phenylamine;benzenamine, 3-methoxy-;m-methoxyaniline;3-methoxybenzenamine;3-methoxy-aniline;3-anisidine;3-methoxyaniline;3-benzoxyaniline;3-methoxybenzeneamine","c1(OC)cc(N)ccc1","Negative",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system hamster","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Primary aromatic amine,hydroxyl amine and its derived esters","Primary aromatic amine, hydroxyl amine and its derived esters"]
["2489-77-2","thiourea;thiourea,;trimethylthiourea;1,1,3-trimethyl-2-thiourea;trimethyl thiourea;thiourea, trimethyl-;urea, 1,1,3-trimethyl-2-thio-\"\"\";trimethyl-2-thiourea;urea, 1,1,3-trimethyl-2-thio-;1,1,3-trimethylthiourea;urea, 1,1,3-trimethyl-2-thio-\";2489-77-2;<i>n</i>-tri-me","C(=S)(N(C)C)NC","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives","SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","Structural alert for nongenotoxic carcinogenicity|Thiocarbonyl (Nongenotox)","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["105-54-4","ethyl butyrate;ethylbutyrate;ethyl butanoate;butanoic acid, ethyl ester;butanoic acid;butyric acid, ethyl ester;105-54-4;et ester","C(=O)(CCC)OCC","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["60-13-9","amphetamine sulfate;dl-amphetamine sulfate;1-phenyl-2-propylamine;(±)-form, sulfate (2:1)","c1(CC(C)N)ccccc1_c1(CC(C)N)ccccc1_O=S(=O)(O)O","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality, Conflict","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes|No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["112-31-2","decyl aldehyde;n-decanal;decanal;1-decanal;112-31-2;n-decylaldehyde","C(=O)CCCCCCCCC","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","Schiff base formers|Schiff base formers >> Direct Acting Schiff Base Formers|Schiff base formers >> Direct Acting Schiff Base Formers >> Mono aldehydes","Simple aldehyde (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Simple aldehyde","Simple aldehyde"]
["61-68-7","mefenamic acid (2-[(2,3-dimethylphenyl)-amino]benzoic acid);mefenamic acid;benzoic acid, 2-[(2,3-dimethylphenyl)amino]-;n-ph-anthranilic acid,2',3'-dimethyl;2-[(2,3-dimethylphenyl)amino]benzoic acid;benzoic acid, 2-((2,3-dimethylphenyl)amino)-;61-68-7","C(=O)(O)c1c(Nc2c(C)c(C)ccc2)cccc1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["93-58-3","benzoic acid;methyl benzoate;benzoic acid, methyl ester;benzoic acid methyl ester;93-58-3;me ester","C(=O)(c1ccccc1)OC","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["93-58-3","benzoic acid;methyl benzoate;benzoic acid, methyl ester;benzoic acid methyl ester;93-58-3;me ester","C(=O)(c1ccccc1)OC","Negative",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system hamster","No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["123-68-2","allyl hexanoate;allyl caproate;hexanoic acid, 2-propenyl ester;hexanoic acid, allyl ester;prop-2-en-1-yl hexanoate;123-68-2","C(=O)(CCCCC)OCC=C","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["363-03-1","phenyl-1,4-benzoquinone;2-phenyl-1,4-benzoquinone;2,5-cyclohexadiene-1,4-dione, 2-phenyl-;phenyl-p-benzoquinone;p-benzoquinone, 2-phenyl-;p-benzoquinone, phenyl-;2-phenylcyclohexa-2,5-diene-1,4-dione;p-benzoquinone, 2-phenyl- (8ci)","c1(C2C(=O)C=CC(=O)C=2)ccccc1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones","Michael addition|Michael addition >> Quinones and Quinone-type Chemicals|Michael addition >> Quinones and Quinone-type Chemicals >> Quinones","Quinones (Genotox)|Structural alert for genotoxic carcinogenicity","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones","Quinones","H-acceptor-path3-H-acceptor|Quinones"]
["1079-21-6","phenylhydroquinone;2,5-dihydroxybiphenyl;phenyl hydroquinone;biphenyl-2,5-diol;[1,1'-biphenyl]-2,5-diol;1,1'-biphenyl -2,5-diol;2,5-biphenyldiol;hydroquinone, phenyl-Х1,1'-biphenylе-2,5-diol;(1,1'-biphenyl)-2,5-diol","c1(-c2c(O)ccc(O)c2)ccccc1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones","o-phenylphenol (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","No alert found"]
["51-21-8","5-fluorouracil;5-fluoro-1h-pyrimidine-2,4-dione;fluorouracil;5-fluorouracil (5-fu);2,4(1h,3h)-pyrimidinedione, 5-fluoro-;5-fluoropyrimidine-2,4(1h,3h)-dione;fluorouracil(inn);uracil, 5-fluoro-;5-fluoro-2,4(1h,3h)pyrionidinedione;5-fluoro-2,4-dihydroxypyrimidine","C1(=O)C(F)=CNC(=O)N1","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives|SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives","No alert found","alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity","SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives","alpha,beta-unsaturated carbonyls","alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor"]
["51-21-8","5-fluorouracil;5-fluoro-1h-pyrimidine-2,4-dione;fluorouracil;5-fluorouracil (5-fu);2,4(1h,3h)-pyrimidinedione, 5-fluoro-;5-fluoropyrimidine-2,4(1h,3h)-dione;fluorouracil(inn);uracil, 5-fluoro-;5-fluoro-2,4(1h,3h)pyrionidinedione;5-fluoro-2,4-dihydroxypyrimidine","C1(=O)C(F)=CNC(=O)N1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives|SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives","No alert found","alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity","SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives","alpha,beta-unsaturated carbonyls","alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor"]
["52-28-8","codeine phosphate;codeine phosphate (anhydrous);(5alpha,6alpha)-3-methoxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-6-ol phosphate (salt);morphinan-6-ol, 7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-, phosphate (1:1) (salt), (5.alpha.,6.alpha.)-","C123c4c5c(OC)ccc4CC(C1C=CC(O)C2O5)N(C)CC3_O=P(O)(O)O","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","N/A","YES","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found|SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["55-98-1","myleran;mylerlan;busulfan;1,4-butanediol, dimethanesulfonate;butane-1,4-diyl dimethanesulfonate;dimethanesulfonate-1,4-butanediol","C(CCCOS(C)(=O)=O)OS(C)(=O)=O","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Sulfonates and Sulfates","SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Sulfonates","No alert found","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Sulfonates and Sulfates","No alert found","H-acceptor-path3-H-acceptor"]
["58-86-6","d-xylose;xylose;xylose [usan]","C1(O)C(O)C(O)C(O)CO1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","N/A","YES","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["80-68-2","threonine;(2s,3r)-2-amino-3-hydroxy-butyric acid;dl-threonine","C(=O)(O)C(N)C(C)O","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["85-91-6","n-methylanthranilic acid, methyl ester;benzoic acid, 2-(methylamino)-, methyl ester;methyl-n-methylanthranilate;2-methoxycarbonyl-n-methylaniline;methyl n-methylanthranilate;anthranilic acid, n-methyl-, methyl ester;methyl 2-(methylamino)benzoate;methyl n-methyl anthranilate","C(=O)(c1c(NC)cccc1)OC","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Secondary aromatic amine","Aromatic mono-and dialkylamine (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Aromatic mono-and dialkylamine","Aromatic mono- and dialkylamine|H-acceptor-path3-H-acceptor"]
["99-98-9","n,n-dimethyl-p-phenylenediamine;n,n-dimethyl-benzene-1,4-diamine;n, n-dimethyl-1,4-phenylenediamine;4-dimethylaminoaniline;4-amino-n,n-dimethylaniline;1,4-benzenediamine, n,n-dimethyl-;dimethyl-4-phenylenediamine;n,n-dimethylbenzene-1,4-diamine;n,ndimethylpphenylenediamine andits salts,whenusedasasubstanceinhairdye products;n,n-dimethyl-1,4-benzenediamine;n,n -dimethyl-p-phenylenediamine","c1(N)ccc(N(C)C)cc1","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine","Aromatic mono-and dialkylamine (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","Aromatic mono-and dialkylamine|Primary aromatic amine,hydroxyl amine and its derived esters","Aromatic mono- and dialkylamine|Primary aromatic amine, hydroxyl amine and its derived esters"]
["99-98-9","n,n-dimethyl-p-phenylenediamine;n,n-dimethyl-benzene-1,4-diamine;n, n-dimethyl-1,4-phenylenediamine;4-dimethylaminoaniline;4-amino-n,n-dimethylaniline;1,4-benzenediamine, n,n-dimethyl-;dimethyl-4-phenylenediamine;n,n-dimethylbenzene-1,4-diamine;n,ndimethylpphenylenediamine andits salts,whenusedasasubstanceinhairdye products;n,n-dimethyl-1,4-benzenediamine;n,n -dimethyl-p-phenylenediamine","c1(N)ccc(N(C)C)cc1","Positive",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system hamster","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine","Aromatic mono-and dialkylamine (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","Aromatic mono-and dialkylamine|Primary aromatic amine,hydroxyl amine and its derived esters","Aromatic mono- and dialkylamine|Primary aromatic amine, hydroxyl amine and its derived esters"]
["100-22-1","n,n,n',n'-tetramethyl-p-phenylenediamine;n,n,n',n'-tetramethyl-benzene-1,4-diamine;n',n'-dimethyl-4-dimethylaminoaniline;1,4-benzenediamine, n,n,n’,n’-tetramethyl-;1,4-benzenediamine, n,n,n',n'-tetramethyl-;n,n,n',n'-tetramethylbenzene-1,4-diamine;1,4-benzenediamine, n1,n1,n4,n4-tetramethyl-","c1(N(C)C)ccc(N(C)C)cc1","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine","Aromatic mono-and dialkylamine (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Aromatic mono-and dialkylamine","Aromatic mono- and dialkylamine"]
["100-22-1","n,n,n',n'-tetramethyl-p-phenylenediamine;n,n,n',n'-tetramethyl-benzene-1,4-diamine;n',n'-dimethyl-4-dimethylaminoaniline;1,4-benzenediamine, n,n,n’,n’-tetramethyl-;1,4-benzenediamine, n,n,n',n'-tetramethyl-;n,n,n',n'-tetramethylbenzene-1,4-diamine;1,4-benzenediamine, n1,n1,n4,n4-tetramethyl-","c1(N(C)C)ccc(N(C)C)cc1","Positive",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","No alert found","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine","Aromatic mono-and dialkylamine (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Aromatic mono-and dialkylamine","Aromatic mono- and dialkylamine"]
["118-71-8","3-hydroxy-2-methyl-4-pyrone;4h-pyran-4-one, 3-hydroxy-2-methyl-;maltol;3-hydroxy-2-methyl-4h-pyran-4-one;118-71-8;3-hydroxy-2-methyl-4<i>h</i>-pyran-4-one","C1(=O)C(O)=C(C)OC=C1","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","alpha,beta-unsaturated carbonyls","alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor"]
["119-36-8","methyl salicylate;2-hydroxy-benzoic acid methyl ester;methyl 2-hydroxybenzoate;benzoic acid, 2-hydroxy-, methyl ester;2-hydroxybenzoic acid, methyl ester;salicylic acid, methyl ester;119-36-8","C(=O)(c1c(O)cccc1)OC","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["124-64-1","tetrakis(hydroxymethyl)phosphonium chloride;tetrakis(hydroxymethyl)phosphonium chloride (thpc);phosphonium, tetrakis(hydroxymethyl)-, chloride","C(O)P{+}(.Cl{-})(CO)(CO)CO","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["124-64-1","tetrakis(hydroxymethyl)phosphonium chloride;tetrakis(hydroxymethyl)phosphonium chloride (thpc);phosphonium, tetrakis(hydroxymethyl)-, chloride","C(O)P{+}(.Cl{-})(CO)(CO)CO","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["128-95-0","1,4-diaminoanthraquinone;disperse violet 1;1,4-diamino-anthraquinone;1, 4-diaminoanthraquinone;9,10-anthracenedione, 1,4-diamino-;cibacet violet 2r;anthraquinone, 1,4-diamino-;1,4-diaminoanthracene-9,10-dione;128-95-0","c12C(=O)c3c(C(=O)c1c(N)ccc2N)cccc3","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Quinones (Genotox)|Structural alert for genotoxic carcinogenicity","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","Primary aromatic amine,hydroxyl amine and its derived esters|Quinones","H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters|Quinones"]
["140-03-4","methyl acetyl ricinoleate;methyl acetylricinolate;methyl o-acetylricinoleate;9-octadecenoic acid, 12-(acetyloxy)-, methyl ester, [r-(z)]-;9-octadecenoic acid, 12-(acetyloxy)-, methyl ester, (9z,12r)-;methyl (9z,12r)-12-(acetyloxy)octadec-9-enoate;ricinoleic acid acetate, methyl ester;9-octadecenoic acid, 12-(acetyloxy)-, methyl ester, (r-(z))- (9ci)","C(=O)(CCCCCCCC=CCC(CCCCCC)OC(C)=O)OC","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Specific Acetate Esters|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Specific Acetate Esters|SN2|SN2 >> Acylating agents|SN2 >> Acylating agents >> Specific Acetate Esters|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Specific Acetate Esters","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["149-30-4","2(3h)-benzothiazolethione;2-mercaptobenzothiazole;149-30-4;2(3<i>h</i>)-benzothiazolethione","c12c(cccc1)NC(=S)S2","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["154-23-4","catechin;(2r,3s)-2-(3,4-dihydroxy-phenyl)-chroman-3,5,7-triol;cianidanol;(2r,3s)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2h-chromene-3,5,7-triol;3,3',4',5,7-pentahydroxyflavan;(2<i>r</i>,3<i>s</i>)-form","c1(O)c2c(cc(O)c1)OC(c1cc(O)c(O)cc1)C(O)C2","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Alkyl phenols|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["154-23-4","catechin;(2r,3s)-2-(3,4-dihydroxy-phenyl)-chroman-3,5,7-triol;cianidanol;(2r,3s)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2h-chromene-3,5,7-triol;3,3',4',5,7-pentahydroxyflavan;(2<i>r</i>,3<i>s</i>)-form","c1(O)c2c(cc(O)c1)OC(c1cc(O)c(O)cc1)C(O)C2","Positive",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system hamster","No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Alkyl phenols|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["224-42-0","dibenz[a,j]acridine;dibenz(a,j)acridine","c12c(c3c(cccc3)cc1)cc1c3c(ccc1n2)cccc3","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Moderate Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1","Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Heterocyclic Polycyclic Aromatic Hydrocarbons","Heterocyclic Polycyclic Aromatic Hydrocarbons"]
["224-42-0","dibenz[a,j]acridine;dibenz(a,j)acridine","c12c(c3c(cccc3)cc1)cc1c3c(ccc1n2)cccc3","Negative",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Moderate Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system hamster","No alert found","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1","Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Heterocyclic Polycyclic Aromatic Hydrocarbons","Heterocyclic Polycyclic Aromatic Hydrocarbons"]
["224-53-3","dibenz[c,h]acridine;3,4,5,6-dibenzacridine;dibenz(c,h)acridine","c12c(c3c(cc4c(c5c(cccc5)cc4)n3)cc1)cccc2","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Moderate Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1","Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Heterocyclic Polycyclic Aromatic Hydrocarbons","Heterocyclic Polycyclic Aromatic Hydrocarbons"]
["224-53-3","dibenz[c,h]acridine;3,4,5,6-dibenzacridine;dibenz(c,h)acridine","c12c(c3c(cc4c(c5c(cccc5)cc4)n3)cc1)cccc2","Positive",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Moderate Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","No alert found","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1","Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Heterocyclic Polycyclic Aromatic Hydrocarbons","Heterocyclic Polycyclic Aromatic Hydrocarbons"]
["224-53-3","dibenz[c,h]acridine;3,4,5,6-dibenzacridine;dibenz(c,h)acridine","c12c(c3c(cc4c(c5c(cccc5)cc4)n3)cc1)cccc2","Negative",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Moderate Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system hamster","No alert found","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1","Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Heterocyclic Polycyclic Aromatic Hydrocarbons","Heterocyclic Polycyclic Aromatic Hydrocarbons"]
["226-36-8","dibenz[a,h]acridine;dibenz(a,h)acridine","c12c(c3c(cc4c5c(ccc4n3)cccc5)cc1)cccc2","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Moderate Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1","Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Heterocyclic Polycyclic Aromatic Hydrocarbons","Heterocyclic Polycyclic Aromatic Hydrocarbons"]
["226-36-8","dibenz[a,h]acridine;dibenz(a,h)acridine","c12c(c3c(cc4c5c(ccc4n3)cccc5)cc1)cccc2","Negative",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Moderate Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","No alert found","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1","Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Heterocyclic Polycyclic Aromatic Hydrocarbons","Heterocyclic Polycyclic Aromatic Hydrocarbons"]
["230-27-3","benzo[h]quinoline;benzo(h)quinoline;alpha-naphthoquinoline","c12c(c3c(cccc3)cc1)nccc2","Negative",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","No alert found","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1","Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Heterocyclic Polycyclic Aromatic Hydrocarbons","Heterocyclic Polycyclic Aromatic Hydrocarbons"]
["315-22-0","monocrotaline;(3r,4r,5r,13ar,13br)-4,5-dihydroxy-3,4,5-trimethyl-4,5,8,10,12,13,13a,13b-octahydro-2h-[1,6]dioxacycloundecino[2,3,4-gh]pyrrolizine-2,6(3h)-dione;20-norcrotalanan-11,15-dione, 14,19-dihydro-12,13-dihydroxy-, (13-alpha,14-alpha)- (9ci)","C1(=O)C(C)(O)C(C)(O)C(C)C(=O)OC2C3C(=CCN3CC2)CO1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Pyrrolizidine alkaloids|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","Pyrrolizidine alkaloids (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["462-60-2","hydantoic acid;ureido-acetic acid;n-(aminocarbonyl)glycine;glycine, n-(aminocarbonyl)-;n-carbamoylglycine;glycine, n-carbamoyl- (7ci,8ci)","C(=O)(O)CNC(N)=O","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["471-80-7","steviol;kaur-16-en-18-oic acid, 13-hydroxy-, (4alpha)- (9ci)","C(=O)(O)C1(C)C2C(C)(C3C4(CC(=C)C(O)(CC3)C4)CC2)CCC1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["471-80-7","steviol;kaur-16-en-18-oic acid, 13-hydroxy-, (4alpha)- (9ci)","C(=O)(O)C1(C)C2C(C)(C3C4(CC(=C)C(O)(CC3)C4)CC2)CCC1","Positive",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["471-80-7","steviol;kaur-16-en-18-oic acid, 13-hydroxy-, (4alpha)- (9ci)","C(=O)(O)C1(C)C2C(C)(C3C4(CC(=C)C(O)(CC3)C4)CC2)CCC1","Negative",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system hamster","No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["501-30-4","kojic acid;5-hydroxy-2-hydroxymethyl-pyran-4-one;4h-pyran-4-one, 5-hydroxy-2-(hydroxymethyl)-;5-hydroxy-2-hydroxymethyl-4-pyrone;5-hydroxy-2-(hydroxymethyl)-4h-pyran-4-one","C1(O)C(=O)C=C(CO)OC=1","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","alpha,beta-unsaturated carbonyls","alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor"]
["514-78-3","canthaxanthin;beta,beta-carotene-4,4'-dione;.beta.,.beta.-carotene-4,4'-dione;beta,beta-carotene-4,4'-dione (9ci)","C1(=O)C(C)=C(C=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC2C(C)(C)CCC(=O)C=2C)C(C)(C)CC1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","N/A","YES","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","alpha,beta-unsaturated carbonyls","alpha,beta-unsaturated carbonyls"]
["548-93-6","3-hydroxyanthranilic acid;2-amino-3-hydroxy-benzoic acid;2-amino-3-hydroxybenzoic acid;anthranilic acid, 3-hydroxy- (8ci)","C(=O)(O)c1c(N)c(O)ccc1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["598-72-1","2-bromopropionic acid;2-bromo-propionic acid;a-bromopropionic acid;alpha-bromopropionic acid;alpha-bromo-propionic acid;propanoic acid, 2-bromo-;propionic acid, 2-bromo-;2-bromopropanoic acid","C(=O)(O)C(C)Br","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Aliphatic halogens","Aliphatic halogen|H-acceptor-path3-H-acceptor"]
["598-72-1","2-bromopropionic acid;2-bromo-propionic acid;a-bromopropionic acid;alpha-bromopropionic acid;alpha-bromo-propionic acid;propanoic acid, 2-bromo-;propionic acid, 2-bromo-;2-bromopropanoic acid","C(=O)(O)C(C)Br","Positive",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","No alert found","No alert found","Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Aliphatic halogens","Aliphatic halogen|H-acceptor-path3-H-acceptor"]
["612-60-2","7-methylquinoline;7-methyl-quinoline;quinoline, 7-methyl-","c12c(cc(C)cc1)nccc2","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["616-23-9","2,3-dichloro-1-propanol;2,3-dichloropropanol;dichloropropanol, 2,3-;2,3-dichloropropan-1-ol;1-propanol, 2,3-dichloro-","C(Cl)(CO)CCl","Positive",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","Elimination (E2)|Elimination (E2) >> E2 elimination reaction with epoxide formation|Elimination (E2) >> E2 elimination reaction with epoxide formation >> Haloalcohols|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Haloalcohols|SN2|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation >> Vicinal Dihaloalkanes","SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> 1,2-Dihaloalkanes","Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity","Elimination (E2)|Elimination (E2) >> E2 elimination reaction with epoxide formation|Elimination (E2) >> E2 elimination reaction with epoxide formation >> Haloalcohols|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Haloalcohols|SN2|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation >> Vicinal Dihaloalkanes","Aliphatic halogens","Aliphatic halogen"]
["616-23-9","2,3-dichloro-1-propanol;2,3-dichloropropanol;dichloropropanol, 2,3-;2,3-dichloropropan-1-ol;1-propanol, 2,3-dichloro-","C(Cl)(CO)CCl","Negative",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system hamster","Elimination (E2)|Elimination (E2) >> E2 elimination reaction with epoxide formation|Elimination (E2) >> E2 elimination reaction with epoxide formation >> Haloalcohols|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Haloalcohols|SN2|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation >> Vicinal Dihaloalkanes","SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> 1,2-Dihaloalkanes","Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity","Elimination (E2)|Elimination (E2) >> E2 elimination reaction with epoxide formation|Elimination (E2) >> E2 elimination reaction with epoxide formation >> Haloalcohols|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Haloalcohols|SN2|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation >> Vicinal Dihaloalkanes","Aliphatic halogens","Aliphatic halogen"]
["659-70-1","isoamyl isovalerate;3-methylbutyl isovalerate;butanoic acid, 3-methyl-, 3-methylbutyl ester;3-methylbutyl 3-methylbutanoate","C(=O)(CC(C)C)OCCC(C)C","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["1025-15-6","triallyl isocyanurate;1,3,5-triazine-2,4,6(1h,3h,5h)-trione, 1,3,5-tri-2-propen-1-yl-;1,3,5-triazine-2,4,6(1h,3h,5h)-trione, 1,3,5-tri;1,3,5-tris(2-propenyl)isocyanuric acid;1,3,5-triallyl-1,3,5-triazine-2,4,6(1h,3h,5h)-trione;1,3,5-triazine-2,4,6(1h,3h,5h)-trione, 1,3,5-tri-2-propenyl-;s-triazine-2,4,6(1h,3h,5h)-trione, 1,3,5-triallyl-;s-triazine-2,4,6(1h,3h,5h)-trione, triallyl-;1,3,5-tri(prop-2-en-1-yl)-1,3,5-triazinane-2,4,6-trione","C1(=O)N(CC=C)C(=O)N(CC=C)C(=O)N1CC=C","Positive",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives","SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["1025-15-6","triallyl isocyanurate;1,3,5-triazine-2,4,6(1h,3h,5h)-trione, 1,3,5-tri-2-propen-1-yl-;1,3,5-triazine-2,4,6(1h,3h,5h)-trione, 1,3,5-tri;1,3,5-tris(2-propenyl)isocyanuric acid;1,3,5-triallyl-1,3,5-triazine-2,4,6(1h,3h,5h)-trione;1,3,5-triazine-2,4,6(1h,3h,5h)-trione, 1,3,5-tri-2-propenyl-;s-triazine-2,4,6(1h,3h,5h)-trione, 1,3,5-triallyl-;s-triazine-2,4,6(1h,3h,5h)-trione, triallyl-;1,3,5-tri(prop-2-en-1-yl)-1,3,5-triazinane-2,4,6-trione","C1(=O)N(CC=C)C(=O)N(CC=C)C(=O)N1CC=C","Negative",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system hamster","SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives","SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["1107-26-2","8'-apo-beta-carotenal;apocarotenal (10% aqueous solution);8'-apo-?-caroten-8'-al;8’-apo-?,?-carotenal;2,4,6,8,10,12,14,16-heptadecaoctaenal, 2,6,11,15-tetramethyl-17-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (2e,4e,6e,8e,10e,12e,14e,16e)-;8'-apo-beta-caroten-8'-al;8'-apo-.beta.,.psi.-carotenal;8'-apo-.beta.-carotenal, all-trans-;8'-apo-.beta.-carotenal;(2e,4e,6e,8e,10e,12e,14e,16e)-2,6,11,15-tetramethyl-17-(2,6,6-trimethylcyclohex-1-en-1-yl)heptadeca-2,4,6,8,10,12,14,16-octaenal;8'-apo-.beta.,.pseudo.-carotenal","C1(C)(C)C(C=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=O)=C(C)CCC1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"Michael addition|Michael addition >> alpha, beta-unsaturated carabonyl compounds|Michael addition >> alpha, beta-unsaturated carabonyl compounds >> Alpha, Beta-Unsaturated Aldehydes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Alpha, Beta-Unsaturated Aldehydes","Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated aldehydes","alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity","Michael addition|Michael addition >> alpha, beta-unsaturated carabonyl compounds|Michael addition >> alpha, beta-unsaturated carabonyl compounds >> Alpha, Beta-Unsaturated Aldehydes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Alpha, Beta-Unsaturated Aldehydes","alpha,beta-unsaturated carbonyls","alpha,beta-unsaturated carbonyls"]
["1239-45-8","ethidium bromide;homidium bromide [ban:inn]","c1(-c2c3c(c4c(cc(N)cc4)n{+}2(.Br{-})CC)ccc(N)c3)ccccc1","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality, Conflict","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","Heterocyclic Polycyclic Aromatic Hydrocarbons|Primary aromatic amine,hydroxyl amine and its derived esters","Heterocyclic Polycyclic Aromatic Hydrocarbons|Primary aromatic amine, hydroxyl amine and its derived esters"]
["1634-78-2","malathion;malaoxon;[(dimethoxyphosphinyl)thio]butanedioic acid diethyl ester;diethyl 2-[(dimethoxyphosphoryl)thio]succinate;succinic acid, mercapto-, diethyl ester, s-ester with o,o-dimethylphosphorothioate;1634-78-2","C(=O)(C(CC(=O)OCC)SP(=O)(OC)OC)OCC","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates","No alert found","Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid (Genotox)|Structural alert for genotoxic carcinogenicity","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates","Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid","Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid|H-acceptor-path3-H-acceptor"]
["2068-78-2","vincristine sulfate;vincristine sulfate salt;vincristine sulfate (ic);vincristine sulphate;22-oxovincaleukoblastine sulfate;vincaleukoblastine, 22-oxo-, sulfate (1:1) (salt);leurocristine sulfate (1:1) salt","C(=O)(C1(c2c(OC)cc3c(C45C(C(O)(C(=O)OC)C(OC(C)=O)C6(CC)C=CCN(C46)CC5)N3C=O)c2)C2=C(c3c(cccc3)N2)CCN2CC(O)(CC)CC(C2)C1)OC_O=S(=O)(O)O","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","N/A","YES","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Specific Acetate Esters|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Specific Acetate Esters|SN2|SN2 >> Acylating agents|SN2 >> Acylating agents >> Specific Acetate Esters|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Specific Acetate Esters","No alert found|SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","No alert found","No alert found|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Specific Acetate Esters|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Specific Acetate Esters|SN2|SN2 >> Acylating agents|SN2 >> Acylating agents >> Specific Acetate Esters|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Specific Acetate Esters","No alert found","H-acceptor-path3-H-acceptor"]
["2371-42-8","2-methylisoborneol;exo-1,2,7,7-tetramethylbicyclo[2.2.1]heptan-2-ol;bicyclo(2.2.1)heptan-2-ol, 1,2,7,7-tetramethyl-, exo-","C1(C)(O)C2(C)C(C)(C)C(CC2)C1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Moderate Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["2451-62-9","tris(2,3-epoxypropyl)isocyanurate;1,3,5-triazine-2,4,6(1h,3h,5h)-trione, 1,3,5-tris(2-oxiranylmethyl)-;tris (2,3-epoxypropyl) isocyanurate;1,3,5-tris(oxiranylmethyl)-1,3,5-triazine-2,4,6(1h,3h,5h)-trione;1,3,5-triazine-2,4,6(1h,3h,5h)-trione, 1,3,5-tris(oxiranylmethyl)-;s-triazine-2,4,6(1h,3h,5h)-trione, 1,3,5-tris(2,3-epoxypropyl)-;s-triazine-2,4,6(1h,3h,5h)-trione, tris(2,3-epoxypropyl)-;1,3,5-triglycidyl-s-triazinetrione;1,3,5-tris(oxiran-2-ylmethyl)-1,3,5-triazinane-2,4,6-trione;1,3,5tris(oxiranylmethyl)1,3,5triazine2,4,6(1h,3h,5h)trione(tgic)","C1(=O)N(CC2CO2)C(=O)N(CC2CO2)C(=O)N1CC1CO1","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives|SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines","SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines|SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides","Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines","Epoxides and aziridines","Epoxides and aziridines|H-acceptor-path3-H-acceptor"]
["2451-62-9","tris(2,3-epoxypropyl)isocyanurate;1,3,5-triazine-2,4,6(1h,3h,5h)-trione, 1,3,5-tris(2-oxiranylmethyl)-;tris (2,3-epoxypropyl) isocyanurate;1,3,5-tris(oxiranylmethyl)-1,3,5-triazine-2,4,6(1h,3h,5h)-trione;1,3,5-triazine-2,4,6(1h,3h,5h)-trione, 1,3,5-tris(oxiranylmethyl)-;s-triazine-2,4,6(1h,3h,5h)-trione, 1,3,5-tris(2,3-epoxypropyl)-;s-triazine-2,4,6(1h,3h,5h)-trione, tris(2,3-epoxypropyl)-;1,3,5-triglycidyl-s-triazinetrione;1,3,5-tris(oxiran-2-ylmethyl)-1,3,5-triazinane-2,4,6-trione;1,3,5tris(oxiranylmethyl)1,3,5triazine2,4,6(1h,3h,5h)trione(tgic)","C1(=O)N(CC2CO2)C(=O)N(CC2CO2)C(=O)N1CC1CO1","Negative",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives|SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines","SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines|SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides","Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines","Epoxides and aziridines","Epoxides and aziridines|H-acceptor-path3-H-acceptor"]
["2451-62-9","tris(2,3-epoxypropyl)isocyanurate;1,3,5-triazine-2,4,6(1h,3h,5h)-trione, 1,3,5-tris(2-oxiranylmethyl)-;tris (2,3-epoxypropyl) isocyanurate;1,3,5-tris(oxiranylmethyl)-1,3,5-triazine-2,4,6(1h,3h,5h)-trione;1,3,5-triazine-2,4,6(1h,3h,5h)-trione, 1,3,5-tris(oxiranylmethyl)-;s-triazine-2,4,6(1h,3h,5h)-trione, 1,3,5-tris(2,3-epoxypropyl)-;s-triazine-2,4,6(1h,3h,5h)-trione, tris(2,3-epoxypropyl)-;1,3,5-triglycidyl-s-triazinetrione;1,3,5-tris(oxiran-2-ylmethyl)-1,3,5-triazinane-2,4,6-trione;1,3,5tris(oxiranylmethyl)1,3,5triazine2,4,6(1h,3h,5h)trione(tgic)","C1(=O)N(CC2CO2)C(=O)N(CC2CO2)C(=O)N1CC1CO1","Positive",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system hamster","SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives|SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines","SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines|SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides","Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines","Epoxides and aziridines","Epoxides and aziridines|H-acceptor-path3-H-acceptor"]
["3081-61-6","l-theanine;theanine;n-ethyl-l-glutamine","C(=O)(O)C(N)CCC(=O)NCC","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","N/A","YES","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["3322-93-8","1,2-dibromo-4-(1,2-dibromoethyl)cyclohexane;1-(1,2-dibromoethyl)-3,4-dibromocyclohexane;cyclohexane, 1,2-dibromo-4-(1,2-dibromoethyl)-;3322-93-8","C(Br)(C1CC(Br)C(Br)CC1)CBr","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"SN2|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation >> Vicinal Dihaloalkanes","SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> 1,2-Dihaloalkanes","(Poly) Halogenated Cycloalkanes (Nongenotox)|Aliphatic halogens (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity","No alert found","Aliphatic halogens","Aliphatic halogen"]
["3322-93-8","1,2-dibromo-4-(1,2-dibromoethyl)cyclohexane;1-(1,2-dibromoethyl)-3,4-dibromocyclohexane;cyclohexane, 1,2-dibromo-4-(1,2-dibromoethyl)-;3322-93-8","C(Br)(C1CC(Br)C(Br)CC1)CBr","Positive",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","SN2|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation >> Vicinal Dihaloalkanes","SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> 1,2-Dihaloalkanes","(Poly) Halogenated Cycloalkanes (Nongenotox)|Aliphatic halogens (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity","No alert found","Aliphatic halogens","Aliphatic halogen"]
["3322-93-8","1,2-dibromo-4-(1,2-dibromoethyl)cyclohexane;1-(1,2-dibromoethyl)-3,4-dibromocyclohexane;cyclohexane, 1,2-dibromo-4-(1,2-dibromoethyl)-;3322-93-8","C(Br)(C1CC(Br)C(Br)CC1)CBr","Negative",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system hamster","SN2|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation >> Vicinal Dihaloalkanes","SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> 1,2-Dihaloalkanes","(Poly) Halogenated Cycloalkanes (Nongenotox)|Aliphatic halogens (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity","No alert found","Aliphatic halogens","Aliphatic halogen"]
["3546-10-09","phenesterin;phenesterine;phenesterindine.hcl","C12C(C)(C3C(C4C(C)(C(C(C)CCCC(C)C)CC4)CC3)CC=1)CCC(OC(=O)Cc1ccc(N(CCCl)CCCl)cc1)C2","Negative",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Nitrogen Mustards","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine|SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> Mustards","S or N mustard (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","S or N mustard","H-acceptor-path3-H-acceptor|S or N mustard"]
["3817-11-06","n-butyl-n-(4-hydroxybutyl)nitrosamine;4-[butyl(nitroso)amino]butan-1-ol;4-hydroxybutyl butyl nitrosamine;3817-11-6","C(O)CCCN(CCCC)N=O","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2","Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","Alkyl and aryl N-nitroso groups","Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor"]
["3817-11-06","n-butyl-n-(4-hydroxybutyl)nitrosamine;4-[butyl(nitroso)amino]butan-1-ol;4-hydroxybutyl butyl nitrosamine;3817-11-6","C(O)CCCN(CCCC)N=O","Positive",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2","Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","Alkyl and aryl N-nitroso groups","Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor"]
["6558-78-7","n-butyl-n-nitrosourethane;carbamic acid, butylnitroso-, ethyl ester (8ci)(9ci);6558-78-7","C(=O)(N(CCCC)N=O)OCC","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2","Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","Alkyl and aryl N-nitroso groups","Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor"]
["7177-48-2","ampicillin trihydrate;ampicillin","C(=O)(C(N)c1ccccc1)NC1C(=O)N2C(C(=O)O)C(C)(C)SC12_O_O_O","Negative",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","N/A","YES","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","Acylation|Acylation >> P450 Mediated Activation to Isocyanates or Isothiocyanates|Acylation >> P450 Mediated Activation to Isocyanates or Isothiocyanates >> Benzylamines-Acylation|Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes|No alert found|SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["7446-34-6","selenium sulfide","S=[Se]","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["7487-94-7","mercury chloride (hgcl2);mercuric chloride;mercury(ii) chloride;mercury chloride, (hgcl2);mercury chloromercurate(ii), (hgcl2)\"\"\";mercury dichloride","Cl{-}.[Hg]{2+}.Cl{-}","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","No alert found","Metals, oxidative stress (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","No alert found"]
["7632-00-0","sodium nitrite;nitrite, sodium;nitrous acid, sodium salt;sodium nitrite [usan]","N(=O)O{-}.[Na]{+}","Negative",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["7722-84-1","hydrogen peroxide;hydrogen peroxide (h2o2);hydrogen peroxide/peroxyacetic acid mixture;hydrogen peroxide/peracetic acid (proxitane);hydrogen peroxide/peracetic acid (vigor ox)","OO","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["11042-64-1","gamma-oryzanol;?-oryzanol;.gamma.-oryzanol;9,19-cyclo-9beta-lanost-24-en-3beta-ol 4-hydroxy-3-methoxycinamate","C12(C)C(C)(C3C4(C5(C(C(C)(C)C(OC(=O)C=Cc6cc(OC)c(O)cc6)CC5)CC3)C4)CC1)CCC2C(C)CCC=C(C)C","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["11042-64-1","gamma-oryzanol;?-oryzanol;.gamma.-oryzanol;9,19-cyclo-9beta-lanost-24-en-3beta-ol 4-hydroxy-3-methoxycinamate","C12(C)C(C)(C3C4(C5(C(C(C)(C)C(OC(=O)C=Cc6cc(OC)c(O)cc6)CC5)CC3)C4)CC1)CCC2C(C)CCC=C(C)C","Negative",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["13463-67-7","titanium oxide (tio2);titanium dioxide;titanium oxide, (tio2);dioxotitanium","O=[Ti]=O","Negative",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["13765-19-0","chromic acid, calcium salt;calcium chromate;chromic acid (h2cro4), calcium salt (1:1);calcium dioxido(dioxo)chromium","O=[Cr]1(=O)O{-}.[Ca]{2+}.O{-}1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","No alert found","Metals, oxidative stress (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","No alert found"]
["17902-23-7","tegafur;1-(2-tetrahydrofuryl)-5-fluorouracil;5-fluoro-1-(tetrahydro-2-furyl)uracil;2,4(1h,3h)-pyrimidinedione, 5-fluoro-1-(tetrahydro-2-furanyl)-;5-fluoro-1-(tetrahydrofuran-2-yl)pyrimidine-2,4(1h,3h)-dione;17902-23-7","C1(=O)C(F)=CN(C2CCCO2)C(=O)N1","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives|SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives","SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity","SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives","alpha,beta-unsaturated carbonyls","alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor|Oxolane"]
["18662-53-8","nitrilotriacetic acid, trisodium salt monohydrate;nitrilotriacetic acid,trisodium salt,monohydrate;nta trisodium salt dihydrate;glycine, n,n-bis(carboxymethyl)-, sodium salt, hydrate (1:3:1)","C(=O)(CN(CC(=O)O{-}.[Na]{+})CC(=O)O{-}.[Na]{+})O{-}.[Na]{+}_O","Negative",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality, Conflict","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","No alert found|SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["18883-66-4","streptozotocin;streptozocin;glucopyranose, 2-deoxy-2-(3-methyl-3-nitrosoureido)-, d-;d-glucose, 2-deoxy-2-[[(methylnitrosoamino)carbonyl]amino]-;2-deoxy-2-{[methyl(nitroso)carbamoyl]amino}-alpha-d-glucopyranose;2-deoxy-2-[[(methylnitrosoamino)carbonyl]amino]-d-glucose;2-deoxy-2-({[methyl(nitroso)amino]carbonyl}amino)-alpha-d-glucopyranose;d-glucose, 2-deoxy-2-(((methylnitrosoamino)carbonyl)amino)- (9ci)","C(=O)(N(C)N=O)NC1C(O)C(O)C(CO)OC1O","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2","Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives","Alkyl and aryl N-nitroso groups","Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor"]
["54897-62-0","n-ethyl-n-(4-hydroxybutyl)nitrosamine","C(O)CCCN(CC)N=O","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2","Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","Alkyl and aryl N-nitroso groups","Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor"]
["54897-63-1","n-ethyl-n-(3-carboxypropyl)nitrosamine","C(=O)(O)CCCN(CC)N=O","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2","Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","Alkyl and aryl N-nitroso groups","Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor"]
["55566-30-8","tetrakis(hydroxymethyl)phosphonium sulfate;tetrakis(hydroxymethyl)phosphonium sulphate (thps);phosphonium, tetrakis(hydroxymethyl)-, sulfate (2:1) (salt)\"\"\";tetrakis(hydroxymethyl)phosphonium sulphate(2:1);phosphonium, tetrakis(hydroxymethyl)-, sulfate (2:1) (salt);bis[tetrakis(hydroxymethyl)phosphonium] sulfate;tetrkis(hydroxymethyl)phosphonium, sulfate(2:1)(salt);thps","C(O)P{+}(CO)(CO)(CO).O{-}S(=O)(=O)O{-}.P{+}(CO)(CO)(CO)CO","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["62450-06-0","3-amino-1,4-dimethyl-5h-pyrido[4,3-b]indole;trp-p-1;tryptophan p1;5h-pyrido(4,3-b)indole, 3-amino-1,4-dimethyl-","c12-c3c(c(C)c(N)nc3C)Nc1cccc2","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","No alert found","Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Heterocyclic Polycyclic Aromatic Hydrocarbons|Primary aromatic amine,hydroxyl amine and its derived esters","Heterocyclic Polycyclic Aromatic Hydrocarbons|Primary aromatic amine, hydroxyl amine and its derived esters"]
["62450-06-0","3-amino-1,4-dimethyl-5h-pyrido[4,3-b]indole;trp-p-1;tryptophan p1;5h-pyrido(4,3-b)indole, 3-amino-1,4-dimethyl-","c12-c3c(c(C)c(N)nc3C)Nc1cccc2","Negative",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","No alert found","Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Heterocyclic Polycyclic Aromatic Hydrocarbons|Primary aromatic amine,hydroxyl amine and its derived esters","Heterocyclic Polycyclic Aromatic Hydrocarbons|Primary aromatic amine, hydroxyl amine and its derived esters"]
["62450-06-0","3-amino-1,4-dimethyl-5h-pyrido[4,3-b]indole;trp-p-1;tryptophan p1;5h-pyrido(4,3-b)indole, 3-amino-1,4-dimethyl-","c12-c3c(c(C)c(N)nc3C)Nc1cccc2","Positive",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system hamster","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","No alert found","Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Heterocyclic Polycyclic Aromatic Hydrocarbons|Primary aromatic amine,hydroxyl amine and its derived esters","Heterocyclic Polycyclic Aromatic Hydrocarbons|Primary aromatic amine, hydroxyl amine and its derived esters"]
["882-09-7","2-(4-chloro-phenoxy)-2-methyl-propionic acid;2-(p-clphenoxy)2-me-propionic acid;colfibric acid;2-(p-chlorophenoxy)-2-methylpropionic acid;clofibric acid;2-(4-chlorophenoxy)-2-methylpropanoic acid;propanoic acid, 2-(4-chlorophenoxy)-2-methyl-;882-09-7","C(=O)(O)C(C)(C)Oc1ccc(Cl)cc1","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["692-13-7","1-butylbiguanide","C(=N)(N)NC(=N)NCCCC","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["58-33-3","promethazine hydrochloride;dimethyl-(1-methyl-2-phenothiazin-10-yl-ethyl)-amine;hydrochloride;promethazine.hcl;10h-phenothiazine-10-ethanamine, n,n,.alpha.-trimethyl-, monohydrochloride;n,n-dimethyl-1-(10h-phenothiazin-10-yl)propan-2-amine hydrochloride","c12c(cccc1)N(CC(C)N(C)C)c1c(cccc1)S2_Cl","Negative",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","No alert found|SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["535-87-5","3,5-diamino-benzoic acid;benzoic acid, 3,5-diamino-;1,5-diaminobenzoic acid;3,5-diaminobenzoic acid","C(=O)(O)c1cc(N)cc(N)c1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Primary aromatic amine,hydroxyl amine and its derived esters","H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters"]
["535-87-5","3,5-diamino-benzoic acid;benzoic acid, 3,5-diamino-;1,5-diaminobenzoic acid;3,5-diaminobenzoic acid","C(=O)(O)c1cc(N)cc(N)c1","Negative",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Primary aromatic amine,hydroxyl amine and its derived esters","H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters"]
["61-82-5","1h-[1,2,4]triazol-3-ylamine;3-aminotriazole;1h-1,2,4-triazol-3-amine;delta2-1,2,4-triazoline, 5-imino- (8ci)","C1(N)=NN=CN1","Negative",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary (unsaturated) heterocyclic amine","Hydrazine (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Hydrazine|Primary aromatic amine,hydroxyl amine and its derived esters","H-acceptor-path3-H-acceptor|Hydrazine|Primary aromatic amine, hydroxyl amine and its derived esters"]
["67-42-5","[(2-{2-[2-(bis-carboxymethyl-amino)-ethoxy]-ethoxy}-ethyl)-carboxymethyl-amino]-acetic acid;egtazic acid [usan:inn];glycol-ether tetraacetic acid;ethylenebis(oxyethylenenitrilo)tetra(acetic acid);6,9-dioxa-3,12-diazatetradecanedioic acid, 3,12-bis(carboxymethyl)-;3,12-bis(carboxymethyl)-6,9-dioxa-3,12-diazatetradecane-1,14-dioic acid;ethyleneglycolbis-aminoethyl ether tetraacetic acid","C(=O)(O)CN(CC(=O)O)CCOCCOCCN(CC(=O)O)CC(=O)O","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["422-05-9","2,2,3,3,3-pentafluoro-propan-1-ol;pentafluoro-1-propanol;3,3,3,2,2-pentafluoropropanol;pentafluoropropanol;2,2,3,3,3-pentafluoropropanol;1-propanol, 2,2,3,3,3-pentafluoro-;2,2,3,3,3-pentafluoro-1-propanol;2,2,3,3,3-pentafluoropropan-1-ol","C(F)(F)(F)C(F)(F)CO","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["422-05-9","2,2,3,3,3-pentafluoro-propan-1-ol;pentafluoro-1-propanol;3,3,3,2,2-pentafluoropropanol;pentafluoropropanol;2,2,3,3,3-pentafluoropropanol;1-propanol, 2,2,3,3,3-pentafluoro-;2,2,3,3,3-pentafluoro-1-propanol;2,2,3,3,3-pentafluoropropan-1-ol","C(F)(F)(F)C(F)(F)CO","Negative",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["77-95-2","(3r,5r)-1,3,4,5-tetrahydroxy-cyclohexanecarboxylic acid;quinic acid;1,3,4,5-tetrahydroxycyclohexanecarboxylic acid;cyclohexanecarboxylic acid, 1,3,4,5-tetrahydroxy-, [1r-(1.alpha.,3.alpha.,4.alpha.,5.beta.)]-;cyclohexanecarboxylic acid, 1,3,4,5-tetrahydroxy-, (1theta-(1alpha,3alpha,4alpha,5beta))-","C(=O)(O)C1(O)CC(O)C(O)C(O)C1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["89-65-6","erythorbic acid;(r)-5-((r)-1,2-dihydroxy-ethyl)-3,4-dihydroxy-5h-furan-2-one;erythorbate, sodium;isoascorbic acid;sodium erythorbate;2,3-didehydro-d-erythro-hexono-1,4-lactone;d-erythro-hex-2-enonic acid, ?-lactone;d-erythro-hex-2-enonic acid, .gamma.-lactone;d-erythro-hex-2-enonic acid, gamma-lactone","C1(=O)C(O)=C(O)C(C(O)CO)O1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","alpha,beta-unsaturated carbonyls","alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor"]
["5103-71-9","alpha-chlordane;1,2,4,5,6,7,8,8-octachloro-2,3,3a,4,7,7a-hexahydro-4,7-methano-1h-indene;alpha (cis) chlordane;cis-chlordane;(1±,2±,3a±,4?,7?,7a±)-1,2,4,5,6,7,8,8-octachloro-2,3,3a,4,7,7a-hexahydro-4,7-methano-1h-indene;(1?,2?,3a?,4?,7?,7a?)-1,2,4,5,6,7,8,8-octachloro-2,3,3a,4,7,7a-hexahydro-4,7-methano-1h-indene;(1r,2s,3as,4r,7s,7as)-1,2,4,5,6,7,8,8-octachloro-2,3,3a,4,7,7a-hexahydro-1h-4,7-methanoindene;alpha chlordane;4,7-methano-1h-indene, 1,2,4,5,6,7,8,8-octachloro-2,3,3a,4,7,7a-hexahydro-, (1alpha,2alpha,3a alpha,4beta,7beta,7a alpha)-","C12(Cl)C(Cl)(Cl)C(Cl)(C(Cl)=C1Cl)C1C(Cl)C(Cl)CC21","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation >> Vicinal Dihaloalkanes|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives","SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> 1,2-Dihaloalkanes","(Poly) Halogenated Cycloalkanes (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives","No alert found","No alert found"]
["5566-34-7","gamma-chlordane;2,2,4,5,6,7,8,8-octachloro-2,3,3a,4,7,7a-hexahydro-4,7-methano-1h-indene;2,2,4,5,6,7,8,8-octachloro-2,3,3a,4,7,7a-hexahydro-1h-4,7-methanoindene;4,7-methano-1h-indene, 2,2,4,5,6,7,8,8-octachloro-2,3,3a,4,7,7a-hexahydro- (9ci)","C12(Cl)C(Cl)(Cl)C(Cl)(C(Cl)=C1Cl)C1C2CC(Cl)(Cl)C1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation >> Vicinal Dihaloalkanes|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives","No alert found","(Poly) Halogenated Cycloalkanes (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives","No alert found","No alert found"]
["1129-41-5","carbamic acid, n-methyl-, 3-methylphenyl ester;n-methyl-m-tolylcarbamate;3-methylphenyl n-methylcarbamate;m-tolyl methylcarbamate;carbamic acid, methyl-, 3-methylphenyl ester;3-methylphenyl-n-methylcarbamate;carbamic acid, methyl-, m-tolyl ester;3-methylphenyl methylcarbamate;methylcarbamic acid 3-methylphenyl ester;metolcarb;3-methylphenyl ester methyl carbamic acid;m-tolyl n-methylcarbamate;1129-41-5","c1(OC(=O)NC)cc(C)ccc1","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["10124-36-4","cadmium sulphate;cadmium sulphate (1:1);cadmium sulfate (1:1);sulfuric acid, cadmium salt (1:1)\"\"\";sulfuric acid, cadmium salt (1:1);cadmium sulfate","O=S1(=O)O{-}.[Cd]{2+}.O{-}1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["135-23-9","methapyrilene hydrochloride;methapyrilene.hcl;methapyrilene hcl;1,2-ethanediamine, n,n-dimethyl-n'-2-pyridinyl-n'-(2-thienylmethyl)-, monohydrochloride;n,n-dimethyl-n'-(pyridin-2-yl)-n'-(thiophen-2-ylmethyl)ethane-1,2-diamine hydrochloride","c1(N(CC2=CC=CS2)CCN(C)C)ccccn1_Cl","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","Michael addition|Michael addition >> P450 Mediated Activation of Heterocyclic Ring Systems|Michael addition >> P450 Mediated Activation of Heterocyclic Ring Systems >> Thiophenes-Michael addition|No alert found|SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine|SN2|SN2 >> P450 Mediated Epoxidation|SN2 >> P450 Mediated Epoxidation >> Thiophenes-SN2","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["13552-44-8","4,4'-methylenedianiline.2hcl;4,4'-methylenedianiline 2hcl;methylenedianiline dihydrochloride;4,4'-methylenedianilinium dichloride;benzenamine, 4,4'-methylenebis-, dihydrochloride;4,4’-methylenedianiline dihydrochloride","c1(N)ccc(Cc2ccc(N)cc2)cc1_Cl_Cl","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","No alert found|SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","Primary aromatic amine,hydroxyl amine and its derived esters","Primary aromatic amine, hydroxyl amine and its derived esters"]
["73590-58-6","omeprazole;1h-benzimidazole,;omeprazole\"\"\";1h-benzimidazole, 6-methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl]-;2-({[3,5-dimethyl-4-(methyloxy)pyridin-2-yl]methyl}sulfinyl)-5-(methyloxy)-1h-benzimidazole","c1(CS(=O)C2=Nc3c(ccc(OC)c3)N2)c(C)c(OC)c(C)cn1","Negative",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","No alert found","Imidazole, benzimidazole (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["366-70-1","procarbazine hydrochloride;procarbazine.hcl;procarbazine hcl [natulan];4-[(2-methylhydrazinyl)methyl]-n-(propan-2-yl)benzamide hydrochloride","C(=O)(c1ccc(CNNC)cc1)NC(C)C_Cl","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Hydrazine","H-acceptor-path3-H-acceptor|Hydrazine"]
["366-70-1","procarbazine hydrochloride;procarbazine.hcl;procarbazine hcl [natulan];4-[(2-methylhydrazinyl)methyl]-n-(propan-2-yl)benzamide hydrochloride","C(=O)(c1ccc(CNNC)cc1)NC(C)C_Cl","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","No alert found","Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Hydrazine","H-acceptor-path3-H-acceptor|Hydrazine"]
["366-70-1","procarbazine hydrochloride;procarbazine.hcl;procarbazine hcl [natulan];4-[(2-methylhydrazinyl)methyl]-n-(propan-2-yl)benzamide hydrochloride","C(=O)(c1ccc(CNNC)cc1)NC(C)C_Cl","Negative",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","No alert found","No alert found","Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Hydrazine","H-acceptor-path3-H-acceptor|Hydrazine"]
["156-62-7","cyanamide, calcium;calcium cyanamide;calcium carbimide;cyanamide, calcium salt (1:1);cyanamide - calcium (1:1)","C(#N)N{2-}.[Ca]{2+}","Negative",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality, Conflict","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["15481-70-6","2,6-toluenediamine dihydrochloride;2,6-diaminotoluene.2hcl;2,6-diaminotoluene-2hcl;toluenediamine hydrochloride, 2,6-;toluene-2,6-diamine, dihydrochloride;2-methylbenzene-1,3-diamine dihydrochloride;1,3-benzenediamine, 2-methyl-, dihydrochloride","c1(N)c(C)c(N)ccc1_Cl_Cl","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","No alert found|SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","Primary aromatic amine,hydroxyl amine and its derived esters","Primary aromatic amine, hydroxyl amine and its derived esters"]
["15481-70-6","2,6-toluenediamine dihydrochloride;2,6-diaminotoluene.2hcl;2,6-diaminotoluene-2hcl;toluenediamine hydrochloride, 2,6-;toluene-2,6-diamine, dihydrochloride;2-methylbenzene-1,3-diamine dihydrochloride;1,3-benzenediamine, 2-methyl-, dihydrochloride","c1(N)c(C)c(N)ccc1_Cl_Cl","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","No alert found|SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","Primary aromatic amine,hydroxyl amine and its derived esters","Primary aromatic amine, hydroxyl amine and its derived esters"]
["15481-70-6","2,6-toluenediamine dihydrochloride;2,6-diaminotoluene.2hcl;2,6-diaminotoluene-2hcl;toluenediamine hydrochloride, 2,6-;toluene-2,6-diamine, dihydrochloride;2-methylbenzene-1,3-diamine dihydrochloride;1,3-benzenediamine, 2-methyl-, dihydrochloride","c1(N)c(C)c(N)ccc1_Cl_Cl","Positive",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","No alert found|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","No alert found|SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","Primary aromatic amine,hydroxyl amine and its derived esters","Primary aromatic amine, hydroxyl amine and its derived esters"]
["5461-85-8","n-isobutyl-n'-nitro-n-nitrosoguanidine;isobutylnitrosonitroguanidine;1-(2-methylpropyl)-3-nitro-1-nitrosoguanidine;guanidine, n-(2-methylpropyl)-n'-nitro-n-nitroso- (9ci)","C(=N)(N(CC(C)C)N=O)NN(=O)=O","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2","Aliphatic N-nitro group (Genotox)|Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","Aliphatic N-nitro group|Alkyl and aryl N-nitroso groups","Aliphatic N-nitro group|Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor"]
["834-28-6","phenformin hydrochloride;phenformin.hcl;n-(2-phenylethyl)imidodicarbonimidic diamide hydrochloride;imidodicarbonimidic diamide, n-(2-phenylethyl)-, monohydrochloride","c1(CCNC(=N)NC(=N)N)ccccc1_Cl","Negative",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes|No alert found","No alert found","No alert found","No alert found","No alert found"]
["64-75-5","tetracycline hydrochloride;tetracycline.hcl;2-naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, monohydrochloride, (4s,4as,5as,6s,12as)-;2-naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, monohydrochloride, [4s-(4.alpha.,4a.alpha.,5a.alpha.,6.beta.,12a.alpha.)]-;tetracycline hydrochloride [usan:jan];(4s,4as,5as,6s,12as)-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamide monohydrochloride","C(N)(=O)C1C(=O)C2(O)C(O)=C3C(=O)c4c(C(C)(O)C3CC2C(N(C)C)C=1O)cccc4O_Cl","Negative",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","N/A","YES","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","No alert found|SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","alpha,beta-unsaturated carbonyls","alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor"]
["4247-02-03","isobutyl p-hydroxybenzoate;benzoic acid, 4-hydroxy-, 2-methylpropyl ester;isobutyl 4-hydroxybenzoate;2-methylpropyl 4-hydroxybenzoate","C(=O)(c1ccc(O)cc1)OCC(C)C","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["7772-99-8","stannous chloride;tin chloride, (sncl2)","Cl[Sn]Cl","Negative",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Moderate Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["20941-65-5","ethyl tellurac","C(=S)(N(CC)CC)S{-}.[Te]{4+}(.S{-}C(=S)N(CC)CC)(.S{-}C(=S)N(CC)CC).S{-}C(=S)N(CC)CC","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality, Conflict","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found","SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["1934-21-0","fd & c yellow no. 5;acid yellow 23","C(=O)(O)C1C(N=Nc2ccc(S(=O)(=O)O)cc2)C(=O)N(c2ccc(S(=O)(=O)O)cc2)N=1","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality, Conflict","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Unsaturated heterocyclic azo","Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Hydrazine","H-acceptor-path3-H-acceptor|Hydrazine"]
["103-36-6","ethyl cinnamate;trans-ethyl cinnamate;cinnamic acid, ethyl ester;2-propenoic acid, 3-phenyl-, ethyl ester;ethyl (2e)-3-phenylprop-2-enoate;103-36-6","C(=O)(C=Cc1ccccc1)OCC","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["101-97-3","benzeneacetic acid, ethyl ester;phenylacetic acid ethyl ester;acetic acid, phenyl-, ethyl ester\"\"\";ethyl phenylacetate;acetic acid, phenyl-, ethyl ester;acetic acid, phenyl-, ethyl ester\";101-97-3","c1(CC(=O)OCC)ccccc1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["105-68-0","1-butanol, 3-methyl-, propanoate;isoamyl propionate;isopentyl propionate;isopentyl alcohol, propionate;propionic acid, isopentyl ester;3-methylbutyl propanoate","C(=O)(CC)OCCC(C)C","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["106-32-1","ethyl octanoate;ethyl caprylate;octanoic acid, ethyl ester;106-32-1","C(=O)(CCCCCCC)OCC","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["110-45-2","isoamyl formate;isopentyl formate;1-butanol, 3-methyl-, formate;isopentyl alcohol, formate;3-methylbutyl formate;110-45-2","C(C)(C)CCOC=O","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["464-49-3","(1r,4r)-(+)-camphor;d-camphor;(+)-bornan-2-one;bicyclo[2.2.1]heptan-2-one, 1,7,7-trimethyl-, (1r)-;bicyclo[2.2.1]heptan-2-one, 1,7,7-trimethyl-, (1r,4r)-;(r)-camphor;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one;bicyclo(2.2.1)heptan-2-one, 1,7,7-trimethyl-, (1theta)-","C1(=O)C2(C)C(C)(C)C(CC2)C1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["464-49-3","(1r,4r)-(+)-camphor;d-camphor;(+)-bornan-2-one;bicyclo[2.2.1]heptan-2-one, 1,7,7-trimethyl-, (1r)-;bicyclo[2.2.1]heptan-2-one, 1,7,7-trimethyl-, (1r,4r)-;(r)-camphor;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one;bicyclo(2.2.1)heptan-2-one, 1,7,7-trimethyl-, (1theta)-","C1(=O)C2(C)C(C)(C)C(CC2)C1","Negative",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["623-85-8","n-propyl-o-ethylcarbamate;carbamic acid, propyl-, ethyl ester","C(=O)(NCCC)OCC","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","Alkyl carbamate and thiocarbamate (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Alkyl carbamate and thiocarbamate","Alkyl carbamate and thiocarbamate|H-acceptor-path3-H-acceptor"]
["2052-01-09","propanoic acid, 2-bromo-2-methyl-;2-bromo-2-methylpropionic acid;propionic acid, 2-bromo-2-methyl-\"\"\";2-bromo-2-methylpropanoic acid;propionic acid, 2-bromo-2-methyl- (8ci)","C(=O)(O)C(C)(C)Br","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["2052-01-09","propanoic acid, 2-bromo-2-methyl-;2-bromo-2-methylpropionic acid;propionic acid, 2-bromo-2-methyl-\"\"\";2-bromo-2-methylpropanoic acid;propionic acid, 2-bromo-2-methyl- (8ci)","C(=O)(O)C(C)(C)Br","Positive",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["2111-75-3","perillaldehyde;l-perillaldehyde;4-isopropenylcyclohex-1-enecarbaldehyde;1-cyclohexene-1-carboxaldehyde, 4-(1-methylethenyl)-;4-(prop-1-en-2-yl)cyclohex-1-ene-1-carbaldehyde;4-(1-methylethenyl)-1-cyclohexene-1-carboxaldehyde","C(=C)(C)C1CC=C(C=O)CC1","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated aldehydes","Simple aldehyde (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Simple aldehyde","Simple aldehyde"]
["2425-10-07","3,4-dimephenyl n-methylcarbamate;3,4-xylyl methylcarbamate;phenol, 3,4-dimethyl-, methylcarbamate;carbamic acid, methyl-, 3,4-xylyl ester;3,4-dimethylphenyl methylcarbamate;3,4-dimethylphenol, methylcarbamate;xylylcarb;2425-10-7","c1(C)c(C)cc(OC(=O)NC)cc1","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["14929-11-4","simfibrate;propanoic acid, 2-(4-chlorophenoxy)-2-methyl-, 1,3-propanediyl ester;propane-1,3-diyl bis[2-(4-chlorophenoxy)-2-methylpropanoate];propionic acid, 2-(p-chlorophenoxy)-2-methyl-, 1,3-propanediyl ester;14929-11-4","C(=O)(C(C)(C)Oc1ccc(Cl)cc1)OCCCOC(=O)C(C)(C)Oc1ccc(Cl)cc1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity|Substituted phenoxyacid (Nongenotox)","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["19700-21-1","geosmin;[4s-(4alpha,4aalpha,8abeta)]-octahydro-4,8a-dimethyl-4a(2h)-naphthol;[4s-(4±,4a±,8a?)]-octahydro-4,8a-dimethyl-4a(2h)-naphthol;[4s-(4?,4a?,8a?)]-octahydro-4,8a-dimethyl-4a(2h)-naphthol;(4s,4as,8ar)-4,8a-dimethyloctahydronaphthalen-4a(2h)-ol;4a(2h)-naphthalenol, octahydro-4,8a-dimethyl-, [4s-(4.alpha.,4a.alpha.,8a.beta.)]-","C12(C)C(O)(C(C)CCC1)CCCC2","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["19700-21-1","geosmin;[4s-(4alpha,4aalpha,8abeta)]-octahydro-4,8a-dimethyl-4a(2h)-naphthol;[4s-(4±,4a±,8a?)]-octahydro-4,8a-dimethyl-4a(2h)-naphthol;[4s-(4?,4a?,8a?)]-octahydro-4,8a-dimethyl-4a(2h)-naphthol;(4s,4as,8ar)-4,8a-dimethyloctahydronaphthalen-4a(2h)-ol;4a(2h)-naphthalenol, octahydro-4,8a-dimethyl-, [4s-(4.alpha.,4a.alpha.,8a.beta.)]-","C12(C)C(O)(C(C)CCC1)CCCC2","Negative",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["58-25-3","librium;3h-1,4-benzodiazepin-2-amine, 7-chloro-n-methyl-5-phenyl-, 4-oxide;chlordiazepoxide","c1(C2c3c(ccc(Cl)c3)N=C(NC)CN=2=O)ccccc1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality, Conflict","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["58-25-3","librium;3h-1,4-benzodiazepin-2-amine, 7-chloro-n-methyl-5-phenyl-, 4-oxide;chlordiazepoxide","c1(C2c3c(ccc(Cl)c3)N=C(NC)CN=2=O)ccccc1","Negative",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality, Conflict","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","No alert found","No alert found","Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["58-94-6","chlorothiazide;2h-1,2,4-benzothiadiazine-7-sulfonamide, 6-chloro-, 1,1-dioxide;6-chloro-2h-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide","c1(Cl)c(S(N)(=O)=O)cc2c(c1)N=CNS2(=O)=O","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","Benzenesulfonic ethers, methylation (Nongenotox)|Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["59-98-3","1h-imidazole, 4,5-dihydro-2-(phenylmethyl)-;tolazoline;2-benzyl-4,5-dihydro-1h-imidazole","c1(CC2=NCCN2)ccccc1","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["69-93-2","uric acid;1h-purine-2,6,8(3h)-trione, 7,9-dihydro-","C1(=O)C2=C(NC(=O)N2)NC(=O)N1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["73-48-3","bendroflumethiazide;3-benzyl-6-(trifluoromethyl)-3,4-dihydro-2h-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide;2h-1,2,4-benzothiadiazine-7-sulfonamide, 3,4-dihydro-3-(phenylmethyl)-6-(trifluoromethyl)-, 1,1-dioxide;bendroflumethiazide(inn)andits derivatives","C(F)(F)(F)c1c(S(N)(=O)=O)cc2c(c1)NC(Cc1ccccc1)NS2(=O)=O","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes|SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Secondary aromatic amine","Benzenesulfonic ethers, methylation (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["135-07-9","2-methyl-3-chloromethylhydrochlorothiazide;methyclothiazide;6-chloro-3-(chloromethyl)-2-methyl-3,4-dihydro-2h-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide;2h-1,2,4-benzothiadiazine-7-sulfonamide, 6-chloro-3-(chloromethyl)-3,4-dihydro-2-methyl-, 1,1-dioxide","c1(Cl)c(S(N)(=O)=O)cc2c(c1)NC(CCl)N(C)S2(=O)=O","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Secondary aromatic amine","Aliphatic halogens (Genotox)|Benzenesulfonic ethers, methylation (Nongenotox)|Halogenated benzene (Nongenotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity","No alert found","Aliphatic halogens","Aliphatic halogen|H-acceptor-path3-H-acceptor"]
["135-09-1","hydroflumethiazide;6-(trifluoromethyl)-3,4-dihydro-2h-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide;2h-1,2,4-benzothiadiazine-7-sulfonamide, 3,4-dihydro-6-(trifluoromethyl)-, 1,1-dioxide","C(F)(F)(F)c1c(S(N)(=O)=O)cc2c(c1)NCNS2(=O)=O","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Secondary aromatic amine","Benzenesulfonic ethers, methylation (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["189-92-4","10-azabenzo(a)pyrene;pyrenoline","c12c3c4c(c5c(cc4ccc3ccc1)cccn5)cc2","Positive",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","No alert found","Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","Heterocyclic Polycyclic Aromatic Hydrocarbons|Polycyclic Aromatic Hydrocarbons","Heterocyclic Polycyclic Aromatic Hydrocarbons|Polycyclic Aromatic Hydrocarbons"]
["189-92-4","10-azabenzo(a)pyrene;pyrenoline","c12c3c4c(c5c(cc4ccc3ccc1)cccn5)cc2","Negative",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system hamster","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","No alert found","Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","Heterocyclic Polycyclic Aromatic Hydrocarbons|Polycyclic Aromatic Hydrocarbons","Heterocyclic Polycyclic Aromatic Hydrocarbons|Polycyclic Aromatic Hydrocarbons"]
["625-52-5","ethylurea;n-ethylurea;urea, ethyl-;1-ethylurea;ethyl urea","C(N)(=O)NCC","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["2508-86-3","4-aminoquinoline-1-oxide;4-quinolinamine, 1-oxide","c1(N)c2c(cccc2)n(=O)cc1","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Moderate Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Aromatic ring N-oxide (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Aromatic ring N-oxide|Primary aromatic amine,hydroxyl amine and its derived esters","Aromatic ring N-oxide|Primary aromatic amine, hydroxyl amine and its derived esters"]
["4564-87-8","carbomycin a;carbomycin","C1(C)(O)C(OC(=O)CC(C)C)C(C)OC(OC2C(N(C)C)C(O)C(OC3C(OC)C(OC(C)=O)CC(=O)OC(C)CC4C(C=CC(=O)C(C)CC3CC=O)O4)OC2C)C1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Specific Acetate Esters|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Specific Acetate Esters|SN2|SN2 >> Acylating agents|SN2 >> Acylating agents >> Specific Acetate Esters|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Specific Acetate Esters","Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated ketones|Schiff base formers|Schiff base formers >> Direct Acting Schiff Base Formers|Schiff base formers >> Direct Acting Schiff Base Formers >> Mono aldehydes|SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines|SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides","alpha,beta-unsaturated carbonyls (Genotox)|Epoxides and aziridines (Genotox)|Simple aldehyde (Genotox)|Structural alert for genotoxic carcinogenicity","Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Specific Acetate Esters|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Specific Acetate Esters|SN2|SN2 >> Acylating agents|SN2 >> Acylating agents >> Specific Acetate Esters|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Specific Acetate Esters","alpha,beta-unsaturated carbonyls|Epoxides and aziridines|Simple aldehyde","alpha,beta-unsaturated carbonyls|Epoxides and aziridines|H-acceptor-path3-H-acceptor|Simple aldehyde"]
["7090-25-7","n-me-n-nitroso-1-naphthylcarbamat;carbamic acid, methylnitroso-, 1-naphthalenyl ester (9ci)","c1(OC(=O)N(C)N=O)c2c(cccc2)ccc1","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2","Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","Alkyl and aryl N-nitroso groups","Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor"]
["38604-70-5","1-acetyl-1-methyl-2-phenylhydrazine","c1(NN(C)C(C)=O)ccccc1","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Hydrazine","H-acceptor-path3-H-acceptor|Hydrazine"]
["76824-35-6","famotidine;propanimidamide, 3-[[[2-[(aminoiminomethyl)amino]-4-thiazolyl]methyl]thio]-n-(aminosulfonyl)-;propanimidamide, n'-(aminosulfonyl)-3-(((2-((diaminomethylene)amino)-4-thiazolyl)methyl)thio)-;76824-35-6","C1(CSCCC(N)=NS(N)(=O)=O)=CSC(N=C(N)N)=N1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["50-60-2","phentolamine;3-[(4,5-dihydro-1h-imidazol-2-ylmethyl)(4-methylphenyl)amino]phenol","c1(O)cc(N(c2ccc(C)cc2)CC2=NCCN2)ccc1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["55-97-0","hexamethonium bromide [ban:inn:jan];hexamethonium bromide;ammonium, hexamethylenebis(trimethyl-, dibromide;n,n,n,n',n',n'-hexamethylhexane-1,6-diaminium dibromide;n,n'hexamethylenebis(trimethylammonium) salts,e.g.hexamethonium bromide(inn)","C(CCCCCN{+}(C)(C)(C).Br{-})N{+}(C)(C)(C).Br{-}","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["61-50-7","n,n-dimethyltryptamine;n,n'-dimethyltryptamine;n,n-dimethyl-1h-indole-3-ethylamine;2-(1h-indol-3-yl)-n,n-dimethylethanamine","C1(CCN(C)C)c2c(cccc2)NC=1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","No alert found","No alert found","No alert found","No alert found"]
["83-86-3","phytic acid;myo-inositol, hexakis(dihydrogen phosphate);inositol, hexakis(dihydrogen phosphate), myo-;fytic acid;(1r,2s,3r,4r,5s,6s)-cyclohexane-1,2,3,4,5,6-hexayl hexakis[dihydrogen (phosphate)]","C1(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates","No alert found","No alert found","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates","No alert found","H-acceptor-path3-H-acceptor"]
["138-59-0","shikimic acid;(3r,4s,5r)-3,4,5-trihydroxycyclohex-1-enecarboxylic acid;(3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid;1-cyclohexene-1-carboxylic acid, 3,4,5-trihydroxy-, (3r-(3alpha,4alpha,5beta))- (9ci)","C(=O)(O)C1=CC(O)C(O)C(O)C1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["339-44-6","glymidine;n-[5-(2-methoxyethoxy)-2-pyrimidinyl]benzenesulphonamide;benzenesulfonamide, n-[5-(2-methoxyethoxy)-2-pyrimidinyl]-\"\"\";glycodiazine;n-[5-(2-methoxyethoxy)pyrimidin-2-yl]benzenesulfonamide;benzenesulfonamide, n-[5-(2-methoxyethoxy)-2-pyrimidinyl]-\";benzenesulfonamide, n-(5-(2-methoxyethoxy)-2-pyrimidinyl)-;339-44-6","c1(S(=O)(=O)Nc2ncc(OCCOC)cn2)ccccc1","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["352-97-6","glycocyamine;guanidinoacetic acid;n-carbamimidoylglycine","C(=O)(O)CNC(=N)N","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["539-89-9","isobutyl urethane;n-isobutyl urethane","C(=O)(NCC(C)C)OCC","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","Alkyl carbamate and thiocarbamate (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Alkyl carbamate and thiocarbamate","Alkyl carbamate and thiocarbamate|H-acceptor-path3-H-acceptor"]
["550-10-7","hydrocotarnine;hydrocotarnine hydrochloride;4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinoline","c12c(c(OC)c3c(c1)CCN(C)C3)OCO2","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","1,3-Benzodioxoles (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","1,3-dialkoxy-benzene|H-acceptor-path3-H-acceptor"]
["1466-82-6","acetylsalicylic anhydride;aspirin anhydride;2-acetoxybenzoic anhydride;2-(acetyloxy)benzoic anhydride;benzoic acid, 2-(acetyloxy)-, anhydride (9ci);1466-82-6","C(=O)(c1c(OC(C)=O)cccc1)OC(=O)c1c(OC(C)=O)cccc1","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Specific Acetate Esters|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Specific Acetate Esters|SN2|SN2 >> Acylating agents|SN2 >> Acylating agents >> Specific Acetate Esters|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Specific Acetate Esters","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["1492-02-0","glybuzole;n-(5-tert-butyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;benzenesulfonamide, n-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-;1492-02-0","C1(C(C)(C)C)=NN=C(NS(=O)(=O)c2ccccc2)S1","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Hydrazine","H-acceptor-path3-H-acceptor|Hydrazine"]
["2667-89-2","bisbentiamine;benzoyl thiamine disulfide;disulfanediylbis(2z)-2-{[(4-amino-2-methylpyrimidin-5-yl)methyl](formyl)amino}pent-2-ene-3,5-diyl dibenzoate","C(=O)(c1ccccc1)OCCC(=C(C)N(C=O)Cc1c(N)nc(C)nc1)SSC(=C(C)N(C=O)Cc1c(N)nc(C)nc1)CCOC(=O)c1ccccc1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Primary aromatic amine,hydroxyl amine and its derived esters","H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters"]
["10238-21-8","glyburide;glibenclamide;benzamide, 5-chloro-n-[2-[4-[[[(cyclohexylamino)carbonyl]amino]sulfonyl]phenyl]ethyl]-2-methoxy-;5-chloro-n-(2-{4-[(cyclohexylcarbamoyl)sulfamoyl]phenyl}ethyl)-2-methoxybenzamide;benzamide, 5-chloro-n-(2-(4-((((cyclohexylamino)carbonyl)amino)sulfonyl)phenyl)ethyl)-2-methoxy-","C(=O)(c1c(OC)ccc(Cl)c1)NCCc1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives","Acylation|Acylation >> P450 Mediated Activation to Isocyanates or Isothiocyanates|Acylation >> P450 Mediated Activation to Isocyanates or Isothiocyanates >> Sulfonylureas","Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["19408-46-9","d-chiro-inositol, 3-o-(2-amino-4-((carboxyiminom;kasugamycin hydrochloride;d-chiro-inositol, 3-o-[2-amino-4-[(carboxyiminomethyl)amino]-2,3,4,6-tetradeoxy-±-d-arabino-hexopyranosyl]-, hydrochloride (1:1);d-chiro-inositol, 3-o-[2-amino-4-[(carboxyiminomethyl)amino]-2,3,4,6-tetradeoxy-?-d-arabino-hexopyranosyl]-, hydrochloride (1:1)","C(=O)(O)C(=N)NC1C(C)OC(OC2C(O)C(O)C(O)C(O)C2O)C(N)C1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["52665-69-7","calcimycin;4-benzoxazolecarboxylic acid, 5-(methylamino)-2-[[3,9,11-trimethyl-8-[1-methyl-2-oxo-2-(1h-pyrrol-2-yl)ethyl]-1,7-dioxaspiro[5.5]undec-2-yl]methyl]-, [6s-[6±(2s*,3s*),8?(r*),9?,11±]]-;4-benzoxazolecarboxylic acid, 5-(methylamino)-2-[[3,9,11-trimethyl-8-[1-methyl-2-oxo-2-(1h-pyrrol-2-yl)ethyl]-1,7-dioxaspiro[5.5]undec-2-yl]methyl]-, [6s-[6?(2s*,3s*),8?(r*),9?,11?]]-;a23187 [calcium ionophore];5-(methylamino)-2-({3,9,11-trimethyl-8-[1-oxo-1-(1h-pyrrol-2-yl)propan-2-yl]-1,7-dioxaspiro[5.5]undec-2-yl}methyl)-1,3-benzoxazole-4-carboxylic acid","C(=O)(O)c1c2c(ccc1NC)OC(CC1C(C)CCC3(C(C)CC(C)C(C(C)C(=O)C4=CC=CN4)O3)O1)=N2","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","N/A","YES","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","alpha,beta-unsaturated carbonyls","alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor"]
["90-80-2","gluconolactone;d-gluconic acid, .delta.-lactone;gluco-delta-lactone;d-glucono-1,5-lactone;d-gluconic acid, ?-lactone;gluconic acid, .delta.-lactone, d-;gluconic acid lactonegluconic acid, lactone, d-;(3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-one (non-preferred name);d-guconic acid, delta-lactone;3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-one (non-preferred name)","C1(=O)C(O)C(O)C(O)C(CO)O1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["50-44-2","6-mercaptopurine;purine-6-thiol;mercaptopurine;1,7-dihydro-6h-purine-6-thione;6h-purine-6-thione, 1,7-dihydro- (9ci);50-44-2","C1(=S)C2=C(N=CN2)N=CN1","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Specific Imine and Thione Derivatives|SN2|SN2 >> Diazonium ion formation|SN2 >> Diazonium ion formation >> Specific Imine and Thione Derivatives","No alert found","Imidazole, benzimidazole (Nongenotox)|Structural alert for nongenotoxic carcinogenicity|Thiocarbonyl (Nongenotox)","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Specific Imine and Thione Derivatives|SN2|SN2 >> Diazonium ion formation|SN2 >> Diazonium ion formation >> Specific Imine and Thione Derivatives","No alert found","H-acceptor-path3-H-acceptor"]
["56-57-5","4-nitroquinoline 1-oxide;4-nitroquinoline-1-oxide","C12C(=C(N(=O)=O)C=CN1=O)C=CCC=2","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality, Conflict","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","No alert found","No alert found","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","No alert found","No alert found"]
["56-57-5","4-nitroquinoline 1-oxide;4-nitroquinoline-1-oxide","C12C(=C(N(=O)=O)C=CN1=O)C=CCC=2","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality, Conflict","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","No alert found","No alert found","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","No alert found","No alert found"]
["70-25-7","n-methyl-n'-nitro-n-nitrosoguanidine","C(=N)(N(C)N=O)NN(O)O","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality, Conflict","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> N-hydroxylamines|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2","Alkyl and aryl N-nitroso groups (Genotox)|Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> N-hydroxylamines|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","Alkyl and aryl N-nitroso groups|Hydrazine","Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor|Hydrazine"]
["70-25-7","n-methyl-n'-nitro-n-nitrosoguanidine","C(=N)(N(C)N=O)NN(O)O","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality, Conflict","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> N-hydroxylamines|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2","Alkyl and aryl N-nitroso groups (Genotox)|Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> N-hydroxylamines|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","Alkyl and aryl N-nitroso groups|Hydrazine","Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor|Hydrazine"]
["591-62-8","tillam;carbamic acid, butyl-, ethyl ester;ethyl butylcarbamate;tillam\"\"\"","C(=O)(NCCCC)OCC","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","Alkyl carbamate and thiocarbamate (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Alkyl carbamate and thiocarbamate","Alkyl carbamate and thiocarbamate|H-acceptor-path3-H-acceptor"]
["6055-19-2","cyclophosphamide;cyclophosphamide hydrate;cyclophosphamide monohydrate;2h-1,3,2-oxazaphosphorin-2-amine, n,n-bis(2-chloroethyl)tetrahydro-, 2-oxide, monohydrate;n,n-bis(2-chloroethyl)tetrahydro-2h-1,3,2-oxazaphosphorin-2-amine, 2-oxide, monohydrate","C1CCNP(=O)(N(CCCl)CCCl)O1_O","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","No alert found|SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Nitrogen Mustards|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates","No alert found|SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> Mustards","S or N mustard (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found|SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates","S or N mustard","H-acceptor-path3-H-acceptor|S or N mustard"]
["72-57-1","trypan blue;2,7-naphthalenedisulfonic acid, 3,3’-[(3,3’-dimethyl[1,1’-biphenyl]-4,4’-diyl)bis(azo)]bis[5-amino-4-hydroxy-, tetrasodium salt","c1(-c2cc(C)c(N=Nc3c(O)c4c(N)cc(S(=O)(=O)O)cc4cc3S(=O)(=O)O)cc2)cc(C)c(N=Nc2c(O)c3c(N)cc(S(=O)(=O)O)cc3cc2S(=O)(=O)O)cc1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality, Conflict","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["72-57-1","trypan blue;2,7-naphthalenedisulfonic acid, 3,3’-[(3,3’-dimethyl[1,1’-biphenyl]-4,4’-diyl)bis(azo)]bis[5-amino-4-hydroxy-, tetrasodium salt","c1(-c2cc(C)c(N=Nc3c(O)c4c(N)cc(S(=O)(=O)O)cc4cc3S(=O)(=O)O)cc2)cc(C)c(N=Nc2c(O)c3c(N)cc(S(=O)(=O)O)cc3cc2S(=O)(=O)O)cc1","Negative",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality, Conflict","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["132-27-4","o-phenylphenate sodium;[1,1’-biphenyl]-2-ol, sodium salt;sodium biphenyl-2-olate","c1(-c2c(O)cccc2)ccccc1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality, Conflict","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","o-phenylphenol (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","No alert found"]
["320-67-2","5-azacytidine;2-(?-d-ribofuranosyl)-4-amino-1,3,5-triazin-2-one;s-triazin-2(1h)-one, 4-amino-1-beta-d-ribofuranosyl- (8ci)","C1(=O)N(C2C(O)C(O)C(CO)O2)C=NC(=N)N1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","T-lymphoma cell lines","Mouse Lymphoma cells","Mammalian cell gene mutation assay","Chromosome aberration","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity","Source of metabolic system - mouse","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Specific Imine and Thione Derivatives|SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives|SN2|SN2 >> Diazonium ion formation|SN2 >> Diazonium ion formation >> Specific Imine and Thione Derivatives","SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","No alert found","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Specific Imine and Thione Derivatives|SN2|SN2 >> Diazonium ion formation|SN2 >> Diazonium ion formation >> Specific Imine and Thione Derivatives","No alert found","H-acceptor-path3-H-acceptor|Oxolane"]
["*-24-2","methyl n-methyl-n-nitrosoanthranilate","C(=O)(c1c(N(C)N=O)cccc1)OC","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","N/A","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2","Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","Alkyl and aryl N-nitroso groups","Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor"]
["*-24-3","mononitrosoametryne","C(C)(C)(C)Nc1nc(N(CC)N=O)nc(SC)n1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","N/A","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2","Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","Alkyl and aryl N-nitroso groups","Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor"]
["*-24-4","mononitrososimetryne","c1(N(CC)N=O)nc(SC)nc(NCC)n1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","N/A","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2","Alkyl and aryl N-nitroso groups (Genotox)|Aromatic mono-and dialkylamine (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","Alkyl and aryl N-nitroso groups|Aromatic mono-and dialkylamine","Alkyl and aryl N-nitroso groups|Aromatic mono- and dialkylamine|H-acceptor-path3-H-acceptor"]
["*-24-5","nitrosoprometryne","c1(N(C(C)C)N=O)nc(SC)nc(NC(C)C)n1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","N/A","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2","Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","Alkyl and aryl N-nitroso groups","Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor"]
["50-98-6","ephedrine hydrochloride;benzenemethanol, .alpha.-[(1s)-1-(methylamino)ethyl]-, hydrochloride, (.alpha.r)-;(1r,2s)-2-(methylamino)-1-phenylpropan-1-ol hydrochloride;benzenemethanol, .alpha.-[1-(methylamino)ethyl]-, hydrochloride, [r-(r*,s*)]-;ephedrine hydrochloride [usan:ban:jan]","c1(C(O)C(C)NC)ccccc1_Cl","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","N/A","YES","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes|No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["52-26-6","morphine hydrochloride;morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5?,6?)-, hydrochloride","C123c4c5c(O)ccc4CC(C1C=CC(O)C2O5)N(C)CC3","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality, Conflict","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Alkyl phenols|SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["53-21-4","cocaine hydrochloride;methyl (1r,2r,3s,5s)-8-methyl-3-[(phenylcarbonyl)oxy]-8-azabicyclo[3.2.1]octane-2-carboxylate hydrochloride","C(=O)(c1ccccc1)OC1C(C(=O)OC)C2CCC(C1)N2C_Cl","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","N/A","YES","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found|SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor|No alert found"]
["53-21-4","cocaine hydrochloride;methyl (1r,2r,3s,5s)-8-methyl-3-[(phenylcarbonyl)oxy]-8-azabicyclo[3.2.1]octane-2-carboxylate hydrochloride","C(=O)(c1ccccc1)OC1C(C(=O)OC)C2CCC(C1)N2C_Cl","Positive",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","N/A","YES","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","No alert found","No alert found|SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor|No alert found"]
["55-48-1","atropine sulfate anhydrous;tropine tropate;(±)-form, sulfate (2:1)","C(=O)(C(c1ccccc1)CO)OC1CC2CCC(C1)N2C_C(=O)(C(c1ccccc1)CO)OC1CC2CCC(C1)N2C_O=S(=O)(O)O","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality, Conflict","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes|No alert found|SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["61-25-6","papaverine hydrochloride;isoquinoline, 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-, hydrochloride","c1(Cc2cc(OC)c(OC)cc2)c2c(cc(OC)c(OC)c2)ccn1","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality, Conflict","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["64-72-2","chlortetracycline hydrochloride;2-naphthacenecarboxamide, 7-chloro-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, monohydrochloride, [4s-(4±,4a±,5a±,6?,12a±)]-;2-naphthacenecarboxamide, 7-chloro-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, monohydrochloride, [4s-(4?,4a?,5a?,6?,12a?)]-;2-naphthacenecarboxamide, 7-chloro-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, monohydrochloride, [4s-(4.alpha.,4a.alpha.,5a.alpha.,6.beta.,12a.alpha.)]-;[4s-(4 alpha, 4a alpha, 5a alpha, 6 beta, 12a alpha)]-7-chloro-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamide, monodichloride","C(N)(=O)C1C(=O)C2(O)C(O)=C3C(=O)c4c(C(C)(O)C3CC2C(N(C)C)C=1O)c(Cl)ccc4O_Cl","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","N/A","YES","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found|SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","alpha,beta-unsaturated carbonyls (Genotox)|Halogenated benzene (Nongenotox)|No alert found|Structural alert for nongenotoxic carcinogenicity|Structural alerts for both genotoxic and nongenotoxic carcinogenicity","No alert found","alpha,beta-unsaturated carbonyls|No alert found","alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor|No alert found"]
["68-89-3","methanesulfonic acid, (antipyrinylmethylamino)-, monosodium salt;methanesulfonic acid, [(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1h-pyrazol-4-yl)methylamino]-, sodiu\"\"\";methanesulfonic acid, [(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1h-pyrazol-4-yl)methylamino]-, sodium salt;sodium [(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1h-pyrazol-4-yl)(methyl)amino]methanesulfonate","C1(=O)C(N(C)CS(=O)(=O)O)=C(C)N(C)N1c1ccccc1","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality, Conflict","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Tertiary (unsaturated) heterocyclic amine","alpha,beta-unsaturated carbonyls (Genotox)|Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","alpha,beta-unsaturated carbonyls|Hydrazine","alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor|Hydrazine"]
["69-09-0","phenothiazine, 2-chloro-10-(3-(dimethylamino)propyl)-, monohydrochloride;10h-phenothiazine-10-propanamine, 2-chloro-n,n-dimethyl-, monohydrochloride\"\"\";10h-phenothiazine-10-propanamine, 2-chloro-n,n-dimethyl-, monohydrochloride","c12c(cc(Cl)cc1)N(CCCN(C)C)c1c(cccc1)S2","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality, Conflict","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","No alert found"]
["77-05-4","stevioside (pure)","C(=O)(C1(C)C2C(C)(C3C4(CC(=C)C(OC5C(OC6C(O)C(O)C(O)C(CO)O6)C(O)C(O)C(CO)O5)(CC3)C4)CC2)CCC1)OC1C(C)C(O)C(O)C(CO)O1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["113-52-0","imipramine hydrochloride;5h-dibenz[b,f]azepine-5-propanamine, 10,11-dihydro-n,n-dimethyl-, monohydrochloride;10,11-dihydro-n,n-dimethyl-5h-dibenz[b,f]azepine-5-propanamine monohydrochloride","c12c(cccc1)CCc1c(cccc1)N2CCCN(C)C","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality, Conflict","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","No alert found","No alert found","No alert found","No alert found"]
["134-50-9","9-aminoacridine hydrochloride;aminacrine hydrochloride;acridin-9-ylamine hydrochloride monohydrate;9-acridinamine, monohydrochloride","c12c(c(N)c3c(cccc3)n1)cccc2_Cl","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality, Conflict","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition|No alert found","Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Heterocyclic Polycyclic Aromatic Hydrocarbons|Primary aromatic amine,hydroxyl amine and its derived esters","Heterocyclic Polycyclic Aromatic Hydrocarbons|Primary aromatic amine, hydroxyl amine and its derived esters"]
["302-70-5","nitrogen mustard n-oxide hydrochloride;nitrogen mustard oxide","C(Cl)CN(C)(=O)CCCl_Cl","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found|SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Nitrogen Mustards","No alert found|SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> Mustards","Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found|SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Nitrogen Mustards","Aliphatic halogens","Aliphatic halogen"]
["465-42-9","capsanthin;(3r,3's,5'r)-3,3'-dihydroxy-?,?-caroten-6'-one;(3r,3's,5'r)-3,3'-dihydroxy-beta,kappa-caroten-6'-one;.beta.,.kappa.-caroten-6'-one, 3,3'-dihydroxy-, (3r,3's,5'r)-","C1(C)(C)C(C)(C(=O)C=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC2C(C)(C)CC(O)CC=2C)CC(O)C1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated ketones","alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","alpha,beta-unsaturated carbonyls","alpha,beta-unsaturated carbonyls"]
["499-44-5","2-hydroxy-4-isopropyl-cyclohepta-2,4,6-trienone;hinokitiol;2-hydroxy-4-isopropyl-2,4,6-cyclohepta-2,4,6-trien-1-one;2,4,6-cycloheptatrien-1-one, 2-hydroxy-4-(1-methylethyl)-;2-hydroxy-4-(propan-2-yl)cyclohepta-2,4,6-trien-1-one;beta-thujaplicin","C1(O)C(=O)C=C(C(C)C)C=CC=1","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","alpha,beta-unsaturated carbonyls","alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor"]
["499-44-5","2-hydroxy-4-isopropyl-cyclohepta-2,4,6-trienone;hinokitiol;2-hydroxy-4-isopropyl-2,4,6-cyclohepta-2,4,6-trien-1-one;2,4,6-cycloheptatrien-1-one, 2-hydroxy-4-(1-methylethyl)-;2-hydroxy-4-(propan-2-yl)cyclohepta-2,4,6-trien-1-one;beta-thujaplicin","C1(O)C(=O)C=C(C(C)C)C=CC=1","Positive",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","No alert found","No alert found","alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","alpha,beta-unsaturated carbonyls","alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor"]
["520-45-6","dehydroacetic acid;dehydroacetic acid [usan]","C1(=O)C(C(C)=O)=C(O)C=C(C)O1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","alpha,beta-unsaturated carbonyls","alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor"]
["582-25-2","potassium benzoate;benzoic acid, potassium salt","C(=O)(O)c1ccccc1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality, Conflict","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["592-17-6","isobutylurea;urea, isobutyl-","C(N)(=O)NCC(C)C","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["606-14-4","l-3-hydroxy-kynurenine","C(=O)(c1c(N)c(O)ccc1)CC(N)C(=O)O","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","No alert found","No alert found","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","No alert found","H-acceptor-path3-H-acceptor"]
["627-06-5","propylurea;urea, propyl-;1-propylurea;n-1-propylurea","C(N)(=O)NCCC","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["631-27-6","glyclopyramide;benzenesulfonamide, 4-chloro-n-((1-pyrrolidinylamino)carbonyl)- (9ci);631-27-6","c1(Cl)ccc(S(=O)(=O)NC(=O)NN2CCCC2)cc1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives","No alert found","Halogenated benzene (Nongenotox)|Hydrazine (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity","No alert found","Hydrazine","H-acceptor-path3-H-acceptor|Hydrazine"]
["657-27-2","l-lysine monohydrochloride;l-lysine, monohydrochloride","C(=O)(O)C(N)CCCCN","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality, Conflict","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["752-56-7","riboflavine tetrabutyrate;2,3,4,5-tetra-o-butanoyl-1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2h)-yl)pentitol","C1(=O)C2C(N(CC(C(C(COC(=O)CCC)OC(=O)CCC)OC(=O)CCC)OC(=O)CCC)c3c(cc(C)c(C)c3)N=2)=NC(=O)N1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality, Conflict","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["826-10-8","l-methamphetamine hydrochloride;(r)-n,±-dimethylphenethylamine hydrochloride;(r)-n,?-dimethylphenethylamine hydrochloride;(2r)-n-methyl-1-phenylpropan-2-amine hydrochloride","c1(CC(C)NC)ccccc1_Cl","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","N/A","YES","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes|No alert found","No alert found","No alert found","No alert found","No alert found"]
["826-39-1","mecamylamine hydrochloride","C1(C)(NC)C(C)(C)C2CC1CC2","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality, Conflict","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["849-55-8","nylidrin hydrochloride;buphenine hydrochloride;benzenemethanol, 4-hydroxy-?-[1-[(1-methyl-3-phenylpropyl)amino]ethyl]-, hydrochloride","c1(C(O)C(C)NC(C)CCc2ccccc2)ccc(O)cc1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality, Conflict","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["912-60-7","noscapine hydrochloride;1(3h)-isobenzofuranone, 6,7-dimethoxy-3-(5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl)-, hydrochloride, [s-(r*,s*)]-","C1(=O)c2c(OC)c(OC)ccc2C(C2c3c(OC)c4c(cc3CCN2C)OCO4)O1","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality, Conflict","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones|SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","1,3-Benzodioxoles (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","1,3-dialkoxy-benzene|H-acceptor-path3-H-acceptor"]
["942-46-1","dl-methylephedrine hydrochloride","c1(C(O)C(C)N(C)C)ccccc1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes|SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["1401-55-4","tannic acid;tannic acids, pharmaceutical grade (85.69% tannic acids, 8.84% gallic acids);tannins","C(=O)(c1cc(O)c(O)c(O)c1)OC1C(O)C(OC(=O)c2cc(O)c(O)c(O)c2)C(O)C(COC(=O)c2cc(O)c(O)c(O)c2)O1","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["1405-10-3","fradiomycin;neomycin, sulfate (salt);neomycin sulfate","C1(OC2C(OC3C(O)C(OC4C(N)C(O)C(O)C(CN)O4)C(CO)O3)C(O)C(N)CC2N)C(N)C(O)C(O)C(CN)O1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality, Conflict","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor|Oxolane"]
["1792-17-2","n,n'-dibutylurea;1,3-dibutylurea","C(=O)(NCCCC)NCCCC","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["2105-44-4","benzenecarbothioic acid, s-(2-(((4-amino-2-methyl-5-pyrimidinyl)methyl)formylamino)-1-(2-(benzoyloxy)ethyl)-1-propenyl)ester, onohydrochloride","C(=O)(c1ccccc1)OCCC(=C(C)N(C=O)Cc1c(N)nc(C)nc1)SC(=O)c1ccccc1_Cl","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","N/A","YES","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","No alert found|SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","No alert found|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","No alert found|Primary aromatic amine,hydroxyl amine and its derived esters","H-acceptor-path3-H-acceptor|No alert found|Primary aromatic amine, hydroxyl amine and its derived esters"]
["4543-95-7","butylbutanolamine","C(O)CCCNCCCC","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["5324-12-09","2,3-dibromopropyl dihydrogen phosphate;1-propanol, 2,3-dibromo-, dihydrogen phosphate\"\"\";1-propanol, 2,3-dibromo-, dihydrogen phosphate;phosphoric acid, mono(2,3-dibromopropyl) ester","C(Br)(COP(=O)(O)O)CBr","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"SN2|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation >> Vicinal Dihaloalkanes|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates","SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> 1,2-Dihaloalkanes","Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity","SN2|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation >> Vicinal Dihaloalkanes|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates","Aliphatic halogens","Aliphatic halogen|H-acceptor-path3-H-acceptor"]
["5412-25-9","bis(2,3-dibromopropyl)magnesium phosphate;bis(2,3-dibromopropyl) hydrogen phosphate;1-propanol, 2,3-dibromo-, hydrogen phosphate;1-propanol, 2,3-dibromo-, hydrogen phosphate (ester)","C(Br)(COP(=O)(O)OCC(Br)CBr)CBr","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"SN2|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation >> Vicinal Dihaloalkanes|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates","SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> 1,2-Dihaloalkanes","No alert found","SN2|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation >> Vicinal Dihaloalkanes|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates","No alert found","H-acceptor-path3-H-acceptor"]
["5458-83-3","n-butyl-n'-nitroguanidine;guanidine, n-butyl-n'-nitro-","C(=N)(NCCCC)NN(=O)=O","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","Aliphatic N-nitro group (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Aliphatic N-nitro group","Aliphatic N-nitro group|H-acceptor-path3-H-acceptor"]
["5550-12-09",null,"[Na]{+}_C1(=O)C2=C(N=C(N)N1)N(C1C(O)C(O)C(COP(=O)(O)O{-}.[Na]{+})O1)C=N2","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","N/A","YES","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates","No alert found|SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","No alert found","No alert found|SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates","No alert found","H-acceptor-path3-H-acceptor|No alert found|Oxolane"]
["5793-94-2","calcium stearyl lactylate;octadecanoic acid, 2-(1-carboxyethoxy)-1-methyl-2-oxoethyl ester, calcium salt","C(=O)(O)C(C)OC(=O)C(C)OC(=O)CCCCCCCCCCCCCCCCC","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality, Conflict","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["5967-42-0","mescaline sulfate","c1(OC)c(OC)c(OC)cc(CCN)c1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones","No alert found","No alert found","No alert found","1,3-dialkoxy-benzene|H-acceptor-path3-H-acceptor"]
["7009-82-7","trimethidinium methosulfate","C1(C)(C)C2CCC1CN{+}(C)(CCCN{+}(C)(C)C)C2","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["7451-46-9","amylurethane","C(=O)(NCCCCC)OCC","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","Alkyl carbamate and thiocarbamate (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Alkyl carbamate and thiocarbamate","Alkyl carbamate and thiocarbamate|H-acceptor-path3-H-acceptor"]
["7491-76-1","dihydroteleocidin b","C1(C)(CC)c2c(C(C)(C(C)C)CC1)cc1c3C(=CNc23)CC(CO)NC(=O)C(C(C)C)N1C","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["7512-17-6","n-acetylglucosamine;d-glucose, 2-(acetylamino)-2-deoxy-;2-(acetylamino)-2-deoxyhexose","C(C)(=O)NC(C(O)C(O)C(O)CO)C=O","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Moderate Quality, Conflict","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","Schiff base formers|Schiff base formers >> Direct Acting Schiff Base Formers|Schiff base formers >> Direct Acting Schiff Base Formers >> Mono aldehydes","Simple aldehyde (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Simple aldehyde","H-acceptor-path3-H-acceptor|Simple aldehyde"]
["7512-17-6","n-acetylglucosamine;d-glucose, 2-(acetylamino)-2-deoxy-;2-(acetylamino)-2-deoxyhexose","C(C)(=O)NC(C(O)C(O)C(O)CO)C=O","Negative",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Moderate Quality, Conflict","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","No alert found","Schiff base formers|Schiff base formers >> Direct Acting Schiff Base Formers|Schiff base formers >> Direct Acting Schiff Base Formers >> Mono aldehydes","Simple aldehyde (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Simple aldehyde","H-acceptor-path3-H-acceptor|Simple aldehyde"]
["7532-20-9","1,3-dinitropyrene","c12c3c4c(c(N(=O)=O)cc(N(=O)=O)c4ccc3ccc1)cc2","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro","Nitro-aromatic (Genotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","Nitro-aromatic|Polycyclic Aromatic Hydrocarbons","Nitro-aromatic|Polycyclic Aromatic Hydrocarbons"]
["7532-20-9","1,3-dinitropyrene","c12c3c4c(c(N(=O)=O)cc(N(=O)=O)c4ccc3ccc1)cc2","Positive",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro","Nitro-aromatic (Genotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","Nitro-aromatic|Polycyclic Aromatic Hydrocarbons","Nitro-aromatic|Polycyclic Aromatic Hydrocarbons"]
["9041-93-4","bleomycin sulfate","C(=O)(c1c(C)c(N)nc(C(CC(N)=O)NCC(N)C(N)=O)n1)NC(C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCC1=NC(C2=NC(C(=O)NCCCS{+}(C)(C).O{-}S(=O)(=O)O)=CS2)=CS1)C(C)O)C(C1=CNC=N1)OC1C(OC2C(O)C(OC(N)=O)C(O)C(CO)O2)C(O)C(O)C(CO)O1","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","N/A","YES","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","No alert found","Alkyl carbamate and thiocarbamate (Genotox)|alpha,beta-unsaturated carbonyls (Genotox)|Imidazole, benzimidazole (Nongenotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity","No alert found","Alkyl carbamate and thiocarbamate|alpha,beta-unsaturated carbonyls","Alkyl carbamate and thiocarbamate|alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor"]
["10212-25-6","2,2'-cyclocytidine hydrochloride;2,2'-anhydro-1-beta-d-arabinofuranosylcytosine hydrochloride;(2r,3r,3as,6z,9ar)-2-(hydroxymethyl)-6-imino-2,3,3a,9a-tetrahydro-6h-furo[2',3':4,5][1,3]oxazolo[3,2-a]pyrimidin-3-ol","C1(=N)C=CN2C(=N1)OC1C(O)C(CO)OC21","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Specific Imine and Thione Derivatives|SN2|SN2 >> Diazonium ion formation|SN2 >> Diazonium ion formation >> Specific Imine and Thione Derivatives","SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","No alert found","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Specific Imine and Thione Derivatives|SN2|SN2 >> Diazonium ion formation|SN2 >> Diazonium ion formation >> Specific Imine and Thione Derivatives","No alert found","H-acceptor-path3-H-acceptor|Oxolane"]
["10236-42-7","naringin","C1(=O)c2c(O)cc(OC3C(OC4C(O)C(O)C(O)C(C)O4)C(O)C(O)C(CO)O3)cc2OC(c2ccc(O)cc2)C1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","N/A","YES","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","1,3-dialkoxy-benzene|H-acceptor-path3-H-acceptor"]
["11015-37-5","bambermycins","C1(=O)C(NC(=O)C2C(O)C(O)C(O)C(OC3C(O)C(NC(C)=O)C(OC4C(O)C(NC(C)=O)C(OC5C(OC(N)=O)C(C)(O)C(C(=O)O)OC5OP(=O)(O)OCC(O)C(=O)OCCC=C(C)CCC=CC(C)(C)CCC(=C)CC=C(C)CCC=C(C)C)OC4COC4C(O)C(O)C(O)C(CO)O4)OC3C)O2)=C(O)CC1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","N/A","YES","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates","SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Phosphates","Alkyl carbamate and thiocarbamate (Genotox)|alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates","Alkyl carbamate and thiocarbamate|alpha,beta-unsaturated carbonyls","Alkyl carbamate and thiocarbamate|alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor"]
["15537-72-1","metformin hydrochloride","C(=N)(N(C)C)NC(=N)N_Cl","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality, Conflict","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found|SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","No alert found","No alert found","No alert found","No alert found"]
["15537-73-2","buformin hydrochloride","C(=N)(N)NC(=N)NCCCC_Cl","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["15537-73-2","buformin hydrochloride","C(=N)(N)NC(=N)NCCCC_Cl","Negative",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system hamster","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["15589-00-1","2,5-dimethoxy-4-methylamphetamine hydrochloride","c1(OC)c(C)cc(OC)c(CC(C)N)c1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones","No alert found","No alert found","No alert found","No alert found"]
["16055-80-4","l-kynurenine sulfate","C(=O)(c1c(N)cccc1)CC(N)C(=O)O","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","Primary aromatic amine,hydroxyl amine and its derived esters","H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters"]
["19935-86-5","n-propyl-n-nitrosorethane","C(=O)(N(CCC)N=O)OCC","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2","Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","Alkyl and aryl N-nitroso groups","Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor"]
["20120-33-6","phosphonic acid, p-(3-((hydroxymethyl)amino)-3-oxopropyl)-, dimethyl ester;dimethyl [3-[(hydroxymethyl)amino]-3-oxopropyl]phosphonate;phosphonic acid, [3-[(hydroxymethyl)amino]-3-oxopropyl]-, dimethyl ester;[3-[(hydroxymethyl)amino]-3-oxopropyl]phosphonic acid, dimethyl ester;phosphonic acid, 3- (hydroxymethyl)amino -3-oxopropyl -, dimethyl ester;phosphonic acid, (2-((hydroxymethyl)carbamoyl)ethyl)-, dimethyl ester;phosphonic acid, (3-((hydroxymethyl)amino)-3-oxopropyl)-, dimethyl ester;dimethyl {3-[(hydroxymethyl)amino]-3-oxopropyl}phosphonate;20120-33-6","C(=O)(CCP(=O)(OC)OC)NCO","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates","No alert found","Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid (Genotox)|N-methylol derivatives (Genotox)|Structural alert for genotoxic carcinogenicity","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates","Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid|N-methylol derivatives","Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid|H-acceptor-path3-H-acceptor|N-methylol derivatives"]
["22350-70-5","nopaline","C(=O)(O)C(CCC(=O)O)NC(C(=O)O)CCCNC(=N)N","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["22350-70-5","nopaline","C(=O)(O)C(CCC(=O)O)NC(C(=O)O)CCCNC(=N)N","Negative",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["24204-13-5","dihydrocodeine phosphate","C123c4c5c(OC)ccc4CC(C1CCC(O)C2O5)N(C)CC3","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["25395-66-8","l-ascorbyl stearate;(stearoyloxy)-l-ascorbic acid","C1(=O)C(O)=C(O)C(C(O)COC(=O)CCCCCCCCCCCCCCCCC)O1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Moderate Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","alpha,beta-unsaturated carbonyls","alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor"]
["26345-59-5","d-glucosone","C(=O)(C(O)C(O)C(O)CO)C=O","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Dicarbonyl Compounds","Schiff base formers|Schiff base formers >> Direct Acting Schiff Base Formers|Schiff base formers >> Direct Acting Schiff Base Formers >> Alpha-beta-dicarbonyl","Simple aldehyde (Genotox)|Structural alert for genotoxic carcinogenicity","Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Dicarbonyl Compounds","Simple aldehyde","H-acceptor-path3-H-acceptor|Simple aldehyde"]
["28895-91-2","n-methyl-n'-acetyl-nitrosourea;urea, 3-acetyl-1-methyl-1-nitroso-;28895-91-2","C(C)(=O)NC(=O)N(C)N=O","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2","Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives","Alkyl and aryl N-nitroso groups","Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor"]
["33124-25-3","n-isobutyl-n-nitrosourethane","C(=O)(N(CC(C)C)N=O)OCC","Positive",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2","Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","Alkyl and aryl N-nitroso groups","Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor"]
["34175-96-7","pterosin b","C1(=O)c2c(C)c(CCO)c(C)cc2CC1C","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["34175-98-9","pterosin f","C1(=O)c2c(C)c(CCCl)c(C)cc2CC1C","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides","Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Aliphatic halogens","Aliphatic halogen"]
["34522-32-2","c(+)-octopine","C(=O)(O)C(C)C(C(=O)O)CCCNC(=N)N","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","Structural alert for nongenotoxic carcinogenicity|Substituted n-alkylcarboxylic acids (Nongenotox)","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["34522-32-2","c(+)-octopine","C(=O)(O)C(C)C(C(=O)O)CCCNC(=N)N","Negative",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","No alert found","No alert found","Structural alert for nongenotoxic carcinogenicity|Substituted n-alkylcarboxylic acids (Nongenotox)","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["35089-66-8","n-isobutyl-n'-nitroguanidine","C(=N)(NCC(C)C)NN(=O)=O","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","Aliphatic N-nitro group (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Aliphatic N-nitro group","Aliphatic N-nitro group|H-acceptor-path3-H-acceptor"]
["35089-69-1","n-amyl-n'-nitroguanidine","C(=N)(NCCCCC)NN(=O)=O","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","Aliphatic N-nitro group (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Aliphatic N-nitro group","Aliphatic N-nitro group|H-acceptor-path3-H-acceptor"]
["35910-15-7","pteroside a","C1(C)(CO)C(=O)c2c(C)c(CCOC3C(O)C(O)C(O)C(CO)O3)c(C)cc2C1","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["38869-91-9","n-amylurea;pentylurea;urea, pentyl-;1-pentylurea","C(N)(=O)NCCCCC","Negative",null,"24;48 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Danish EPA Inventory","No","without S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,{"$nulls":3},"SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["67977-01-9","pyrenoline 4,5-oxide","c12c(c3c4c5c(C6C(c4c1)O6)cccc5cc3)nccc2","Positive",null,"6;18 h","Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Danish EPA Inventory","No","with S9","Sofuni, T., Ed. (1998). Data Book of Chromosomal Aberration Test In Vitro, Revised Edition. Life-Science Information Center; Tokyo, Japan.","Chinese hamster Lung (CHL)","Chinese hamster Lung (CHL)","In Vitro mammalian chromosome aberration test","Chromosome aberration","In Vitro",1998,null,null,"Source of metabolic system rat","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides","Epoxides and aziridines (Genotox)|Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","Epoxides and aziridines|Heterocyclic Polycyclic Aromatic Hydrocarbons|Polycyclic Aromatic Hydrocarbons","Epoxides and aziridines|Heterocyclic Polycyclic Aromatic Hydrocarbons|Polycyclic Aromatic Hydrocarbons"]
["50-32-8","benzo(a)pyrene;benzo[a]pyrene;benzopyrene;3,4-\"\";3,4-\";benzo[def]chrysene;benzo(a)pyrene (bap);benzo[pqr]tetraphene;benzo[def]chrysene(benzo[a]pyrene)","c12c3c4c(c5c(cc4ccc3ccc1)cccc5)cc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition|SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1","Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons"]
["53-96-3","2-acetylaminofluorene;n-2-fluorenylacetamide;2-acetylaminofluorene [2-acetaminofluorene] [2,fluorenyl acetamide (2-faa)];n-fluoren-2-ylacetamide;2-acetylaminofluorene (2-aaf);acetamide, n-9h-fluoren-2-yl-;n-(9h-fluoren-2-yl)acetamide;n-9h-fluoren-2-ylacetamide","c12-c3c(cc(NC(C)=O)cc3)Cc1cccc2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"No alert found","No alert found","Aromatic N-acyl amine (Genotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Aromatic N-acyl amine|Polycyclic Aromatic Hydrocarbons","Aromatic N-acyl amine|H-acceptor-path3-H-acceptor|Polycyclic Aromatic Hydrocarbons"]
["55-21-0","benzamide","C(N)(=O)c1ccccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["56-04-2","methylthiouracil;metacil;4(1h)-pyrimidinone, 2,3-dihydro-6-methyl-2-thioxo-;uracil, 6-methyl-2-thio-;6-methyl-2-thiouracil;6-methyl-2-thioxo-2,3-dihydropyrimidin-4(1h)-one","c1(O)cc(C)nc(S)n1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 97","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"Radical|Radical >> Generation of reactive oxygen species|Radical >> Generation of reactive oxygen species >> Thiols","No alert found","No alert found","No alert found","No alert found","No alert found"]
["56-40-6","glycine;amino-acetic acid;glycine, amino-acetic acid;glycine [inn];glycine iron sulphate (1:1);56-40-6","C(=O)(O)CN","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["56-53-1","diethylstilbestrol;des;diethylstilbestrol (des);diethylstilbesterol;phenol, 4,4'-[(1e)-1,2-diethyl-1,2-ethenediyl]bis-;4,4'-(3e)-hex-3-ene-3,4-diyldiphenol;phenol, 4,4'-(1,2-diethyl-1,2-ethenediyl)bis-, (e)-;4,4'-[(1e)-1,2-diethyl-1,2-ethenediyl]bisphenol;4,4'-stilbenediol, alpha,alpha'-diethyl-, (e)- (8ci);diethylstilbestrol [usan:inn]","c1(C(=C(c2ccc(O)cc2)CC)CC)ccc(O)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["56-81-5","glycerin;glycerol;propane-1,2,3-triol;1,2,3-propanetriol;glycerin, natural;glycerin, synthetic;propanetriolvan;glycerine;glycerin [jan]","C(O)(CO)CO","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 97","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["58-08-2","caffeine;1,3,7-trimethyl-3,7-dihydro-purine-2,6-dione;1h-purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-;1,3,7-trimethyl-3,7-dihydro-1h-purine-2,6-dione;3,7-dihydro-1,3,7-trimethyl-1h-pyrine-2,6-dione","C1(=O)C2=C(N(C)C(=O)N1C)N=CN2C","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives","SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["60-82-2","phloretin;3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one;phloretin (2’4,4’,6’- tetrahydoxychalcone);propiophenone, 2',4',6'-trihydroxy-3-(p-hydroxyphenyl)- (8ci)","C(=O)(c1c(O)cc(O)cc1O)CCc1ccc(O)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Alkyl phenols","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["62-53-3","aniline;phenylamine;benzenamine;aniline,itssaltsanditshalogenatedandsulphonatedderivatives;62-53-3","c1(N)ccccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","Primary aromatic amine,hydroxyl amine and its derived esters","Primary aromatic amine, hydroxyl amine and its derived esters"]
["62-53-3","aniline;phenylamine;benzenamine;aniline,itssaltsanditshalogenatedandsulphonatedderivatives;62-53-3","c1(N)ccccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","Primary aromatic amine,hydroxyl amine and its derived esters","Primary aromatic amine, hydroxyl amine and its derived esters"]
["67-64-1","acetone;propan-2-one;2-propanone;methyl ketoneacetone","C(C)(C)=O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["67-66-3","methane, trichloro-;chloroform;trichloromethane;chloroform\"\"\";trichlorometane;chloroform\";67-66-3","C(Cl)(Cl)Cl","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","No S9 info","Mutation Research 584 (2005) 1-256","No strain info",null,"In Vitro mammalian chromosome aberration test","Gene mutation","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity",null,"Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes","No alert found","Aliphatic halogens (Genotox)|Alkyl halides (Nongenotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes","Aliphatic halogens","Aliphatic halogen"]
["75-09-2","methane, dichloro-;dichloromethane;methylene chloride;methylene chloride [usan];75-09-2","C(Cl)Cl","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","National Cancer Institute","No","with S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,null,"Short-Term Testing Program in the National Cancer Institute (NCI), National Institutes of Health, US Department of Health and Human Services","Source of metabolic system - rat","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes","No alert found","Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes","Aliphatic halogens","Aliphatic halogen"]
["86-30-6","benzenamine, n-nitroso-n-phenyl-;n-nitrosodiphenylamine;diphenylnitrosamine;n-nitrosodiphenylamine [diphenyl nitrosamine];nitrosodiphenylamine, n-;nitrosodiphenylamine;diphenylamine, n-nitroso-;n-nitroso-n-phenylaniline;n-nitroso-n-phenylbenzenamine;86-30-6","c1(N(c2ccccc2)N=O)ccccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","SN1|SN1 >> Nitrosation-SN1|SN1 >> Nitrosation-SN1 >> N-Nitroso-SN1","Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","Alkyl and aryl N-nitroso groups","Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor"]
["91-20-3","naphthalene;naphthalene, pure;91-20-3","c12c(cccc1)cccc2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","National Cancer Institute","No","with S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,null,"Short-Term Testing Program in the National Cancer Institute (NCI), National Institutes of Health, US Department of Health and Human Services","Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["91-20-3","naphthalene;naphthalene, pure;91-20-3","c12c(cccc1)cccc2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["95-51-2","benzenamine, 2-chloro-;2-chloroaniline;chloroaniline, 2-;o-chloroaniline;2-chloro-phenylamine;2-chloro-aniline;ortho-chloroaniline;aniline, o-chloro-;1-amino-2-chlorobenzene","c1(Cl)c(N)cccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Primary aromatic amine,hydroxyl amine and its derived esters","Primary aromatic amine, hydroxyl amine and its derived esters"]
["95-76-1","benzenamine, 3,4-dichloro-;3,4-dichloroaniline;dichloroaniline, 3,4-;3,4-dichloroaniline (aka 3,4-dichlorobenzenamine);3,4-dichlorobenzenamine;aniline, 3,4-dichloro-;1-amino-3,4-dichlorobenzene;95-76-1","c1(Cl)c(Cl)cc(N)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Primary aromatic amine,hydroxyl amine and its derived esters","Primary aromatic amine, hydroxyl amine and its derived esters"]
["100-01-6","benzenamine, 4-nitro-;4-nitroaniline;nitroaniline, 4-;nitroaniline, p-;p-nitroaniline;4-nitro-phenylamine;4-nitro-aniline;aniline, p-nitro-;4-nitrobenzenamine;100-01-6","c1(N)ccc(N(=O)=O)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN1 >> Nitrenium ion formation >> Nitro Compounds","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Nitro-aromatic (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","Nitro-aromatic|Primary aromatic amine,hydroxyl amine and its derived esters","Nitro-aromatic|Primary aromatic amine, hydroxyl amine and its derived esters"]
["101-83-7","dicyclohexylamine;dicyclohexyl-amine;cyclohexanamine, n-cyclohexyl-;n-cyclohexylcyclohexanamine;101-83-7","C1(NC2CCCCC2)CCCCC1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["102-81-8","ethanol, 2-(dibutylamino)-;2-(dibutylamino)ethanol;2-dibutylaminoethanol;2-n-dibutylaminoethanol;2-(di-n-butylamino)ethanol;102-81-8","C(CCC)N(CCCC)CCO","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["104-75-6","2-ethylhexylamine;1-hexanamine, 2-ethyl-;2-ethylhexyl amine;hexylamine, 2-ethyl-;2-ethylhexan-1-amine;2-ethyl-1-hexanamine;104-75-6","C(CCCC)(CC)CN","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 97","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["106-20-7","2,2'-diethylhexylamine;di-(2-ethylhexyl)amine;bis(2-ethylhexyl)amine;1-hexanamine, 2-ethyl-n-(2-ethylhexyl)-;dihexylamine, 2,2'-diethyl-;2-ethyl-n-(2-ethylhexyl)hexan-1-amine;106-20-7","C(CCCC)(CC)CNCC(CCCC)CC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["107-11-9","2-propen-1-amine;allylamine;1-amino-prop-2-ene;prop-2-en-1-amine;107-11-9","C(=C)CN","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["109-73-9","butylamine;n-butylamine;1-butanamine;1-butylamine;1-amino-butane;butan-1-amine;109-73-9","C(N)CCC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["111-71-7","heptaldehyde;n-heptanal;heptanal;111-71-7;n-heptyl aldehyde","C(=O)CCCCCC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 97","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","Schiff base formers|Schiff base formers >> Direct Acting Schiff Base Formers|Schiff base formers >> Direct Acting Schiff Base Formers >> Mono aldehydes","Simple aldehyde (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Simple aldehyde","Simple aldehyde"]
["121-69-7","benzenamine, n,n-dimethyl-;n,n-dimethylaniline;dimethylaniline, n, n-;dimethyl-phenyl-amine;dimethylamine, n,n'-;aniline, n,n-dimethyl-;n,ndimethylaniline;n,n-dimethylbenzenamine;121-69-7","c1(N(C)C)ccccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 97","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine","Aromatic mono-and dialkylamine (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Aromatic mono-and dialkylamine","Aromatic mono- and dialkylamine"]
["122-34-9","1,3,5-triazine-2,4-diamine, 6-chloro-n2,n4-diethyl-;6-chloro-n,n'-diethyl-1,3,5-triazine-2,4-diamine;simazine;1,3,5-triazine-2,4-diamine, 6-chloro-n,n'-diethyl-;s-triazine, 2-chloro-4,6-bis(ethylamino)-;2-chloro-4,6-bis(ethylamino)-s-triazine","c1(Cl)nc(NCC)nc(NCC)n1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"No alert found","No alert found","Aromatic mono-and dialkylamine (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Aromatic mono-and dialkylamine","Aromatic mono- and dialkylamine"]
["123-05-7","2-ethylhexanal;hexanal, 2-ethyl-;123-05-7;2-ethylhexyl aldehyde","C(=O)C(CCCC)CC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"No alert found","Schiff base formers|Schiff base formers >> Direct Acting Schiff Base Formers|Schiff base formers >> Direct Acting Schiff Base Formers >> Mono aldehydes","Simple aldehyde (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Simple aldehyde","Simple aldehyde"]
["123-72-8","butyric acid;butyraldehyde;butyraldehyde, n-;butanal;n-butylaldehyde;123-72-8","C(=O)CCC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 97","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","Schiff base formers|Schiff base formers >> Direct Acting Schiff Base Formers|Schiff base formers >> Direct Acting Schiff Base Formers >> Mono aldehydes","Simple aldehyde (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Simple aldehyde","Simple aldehyde"]
["124-04-9","adipic acid;hexanedioic acid","C(=O)(O)CCCCC(=O)O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"No alert found","No alert found","Phtalate (or buthyl) diesters and monoesters (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["127-18-4","ethene, 1,1,2,2-tetrachloro-;tetrachloroethylene;perchloroethylene;1,1,2,2-tetrachloroethylene;tetrachloroethene;ethene, tetrachloro-;perchlorethylene;tetrachloroethene (aka tetrachlorethylene);tetrachloroethylene (tce);ethylene, tetrachloro-;tetrachloroethylene,","C(Cl)(Cl)=C(Cl)Cl","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 97","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","No alert found","Structural alert for nongenotoxic carcinogenicity|Trichloro (or fluoro) ethylene and Tetrachloro (or fluoro) ethylene (Nongenotox)","No alert found","No alert found","No alert found"]
["143-27-1","hexadecylamine;n-hexadecylamine;1-aminohexadecane;1-hexadecanamine;hetaflur hexadecylamine;hexadecan-1-amine","C(N)CCCCCCCCCCCCCCC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["314-40-9","bromacil;2,4(1h,3h)-pyrimidinedione, 5-bromo-6-methyl-3-(1-methylpropyl)-;5-bromo-3-(butan-2-yl)-6-methylpyrimidine-2,4(1h,3h)-dione;5-bromo-6-methyl-3-(1-methylpropyl)-2,4(1h,3h)-pyrimidinedione;bromacil (hyvar x weed killer);bromacil /na chlorate/na bo2 tetrahydrate;bromacil/petroleum/2,4-d/pentaclorophenol mix;bromacil/aromatic solvent/pentachlorophenol;bromacil(weedgard mixture)","C1(=O)C(Br)=C(C)NC(=O)N1C(C)CC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives|SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives","SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity","SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives","alpha,beta-unsaturated carbonyls","alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor"]
["423-39-2","perfluoro-n-butyl iodide;butane, 1,1,1,2,2,3,3,4,4-nonafluoro-4-iodo-;butane, nonafluoro-1-iodo-;1,1,1,2,2,3,3,4,4-nonafluoro-4-iodobutane","C(F)(F)(I)C(F)(F)C(F)(F)C(F)(F)F","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Hansen K. et al.","No","No S9 info","J. Chem. Inf. Model., 2009, 49 (9), pp 2077–2081","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",2009,"No information for Salmonella thyphimurium strain and S9 metabolic activation",null,null,"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["621-77-2","tri-n-amylamine;1-pentanamine, n,n-dipentyl-;tripentylamine;n,n-dipentylpentan-1-amine;n,n-dipentyl-1-pentanamine","C(CCCC)N(CCCCC)CCCCC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","No alert found","No alert found","No alert found","No alert found"]
["621-77-2","tri-n-amylamine;1-pentanamine, n,n-dipentyl-;tripentylamine;n,n-dipentylpentan-1-amine;n,n-dipentyl-1-pentanamine","C(CCCC)N(CCCCC)CCCCC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","No alert found","No alert found","No alert found","No alert found"]
["1912-24-9","atrazine;6-chloro-n-ethyl-n'-isopropyl-[1,3,5]triazine-2,4-diamine;1,3,5-triazine-2,4-diamine, 6-chloro-n2-ethyl-n4-(1-methylethyl)-;1,3,5-triazine-2,4-diamine, 6-chloro-n-ethyl-n-(1-methylethyl)-;s-triazine, 2-chloro-4-(ethylamino)-6-(isopropylamino)-;1,3,5-triazine-2,4-diamine, 6-chloro-n-ethyl-n'-(1-methylethyl)-;1,3,5-triazine-2,4-diamine, 6-chloro-n-ethyl-n’-(1-methylethyl)-;6-chloro-n-ethyl-n'-isopropyl-1,3,5-triazine-2,4-diamine;6-chloro-n-ethyl-n'-(1-methylethyl)-1,3,5-triazine-2,4-diamine;atrazine technical;atrazine (endocrine effects study-special);atrazine 4l;atrazine g28279 degradate;atrazine g28273 degradate;atrazine (solution concentrate)","c1(Cl)nc(NCC)nc(NC(C)C)n1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","No S9 info","Mutation Research 584 (2005) 1-256","No strain info",null,"In Vitro mammalian chromosome aberration test","Gene mutation","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity",null,"No alert found","No alert found","Aromatic mono-and dialkylamine (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Aromatic mono-and dialkylamine","Aromatic mono- and dialkylamine"]
["2439-35-2","2-(dimethylamino)ethyl acrylate;acrylic acid 2-dimethylamino-ethyl ester;2-propenoic acid, 2-(dimethylamino)ethyl ester;acrylic acid, 2-(dimethylamino)ethyl ester;2-(dimethylamino)ethyl prop-2-enoate;2439-35-2","C(=O)(C=C)OCCN(C)C","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated esters|SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["17804-35-2","benomyl;carbamic acid, [1-[(butylamino)carbonyl]-1h-benzimidazol-2-yl]-, methyl ester;2-benzimidazolecarbamic acid, 1-(butylcarbamoyl)-, methyl ester;carbamic acid, Х1-Х(butylamino)carbonylе-1h-benzimidazol-2-ylе-, methyl ester;methyl [1-(butylcarbamoyl)-1h-benzimidazol-2-yl]carbamate;[1-[(butylamino)carbonyl]-1h-benzimidazol-2-yl]carbamic acid, methyl ester;carbamic acid, (1-((butylamino)carbonyl)-1h-benzimidazol-2-yl)-, methyl ester;17804-35-2","c12c(cccc1)N(C(=O)NCCCC)C(NC(=O)OC)=N2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives","No alert found","Alkyl carbamate and thiocarbamate (Genotox)|Imidazole, benzimidazole (Nongenotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity","No alert found","Alkyl carbamate and thiocarbamate","Alkyl carbamate and thiocarbamate|H-acceptor-path3-H-acceptor"]
["110-17-8","fumaric acid;(e)-but-2-enedioic acid;2-butenedioic acid (2e)-;2-butenedioic acid (e)-;trans-butenedioic acid;2-butanedioic acid;(2e)-but-2-enedioic acid;2-butenedioic acid, (e)-;(e)-2-butenedioic acid;but-2-enedioic acid;110-17-8","C(=O)(O)C=CC(=O)O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["103-33-3","azobenzene;aminoazobenzene;diazene, diphenyl-;(e)-diphenyldiazene;103-33-3","c1(N=Nc2ccccc2)ccccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic azo","Aromatic diazo (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Aromatic diazo","Aromatic diazo|H-acceptor-path3-H-acceptor"]
["103-84-4","acetanilide;acetamide, n-phenyl-;n-acetylaniline;n-phenylacetamide;antifebrin;103-84-4","c1(NC(C)=O)ccccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","No alert found","Aromatic N-acyl amine (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Aromatic N-acyl amine","Aromatic N-acyl amine|H-acceptor-path3-H-acceptor"]
["94-13-3","n-propyl 4-hydroxybenzoate;p-hydroxy propyl benzoate;hydroxybenxoic acid propyl ester, p-;benzoic acid, 4-hydroxy-, propyl ester;propyl paraben;propyl 4-hydroxybenzoate;propyl-paraben;propylparaben [usan];4-hydroxybenzoic acid propyl ester;propylparaben","C(=O)(c1ccc(O)cc1)OCCC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["78-94-4","3-buten-2-one (methyl vinyl ketone);methyl vinyl ketone;methylvinylketone;3-buten-2-one;butenone;but-3-en-2-one;78-94-4","C(C)(=O)C=C","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated ketones","alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","alpha,beta-unsaturated carbonyls","alpha,beta-unsaturated carbonyls"]
["95-47-6","o-xylene;xylene, 2-;benzene, 1,2-dimethyl;benzene, 1,2-dimethyl-;1,2-dimethylbenzene;2-xylene","c1(C)c(C)cccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes","No alert found","No alert found","No alert found","No alert found"]
["150-13-0","4-aminobenzoic acid;p-aminobenzoic acid;4-amino-benzoic acid;benzoic acid, 4-amino-;p-amino benzoic acid;p-aminobenzoic acid (paba);p-amino-benzoic acid","C(=O)(O)c1ccc(N)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Primary aromatic amine,hydroxyl amine and its derived esters","H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters"]
["26148-68-5","2-amino-9h-pyrido[2,3-b]indole;a-alpha-c;2-amino-9h-pyrido(2,3-b)indole;9h-pyrido[2,3-b]indol-2-amine;9h-pyrido(2,3-b)indole, 2-amino-","c12-c3c(cccc3)Nc1nc(N)cc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","No S9 info","Mutation Research 584 (2005) 1-256","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity",null,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Heterocyclic Polycyclic Aromatic Hydrocarbons|Primary aromatic amine,hydroxyl amine and its derived esters","Heterocyclic Polycyclic Aromatic Hydrocarbons|Primary aromatic amine, hydroxyl amine and its derived esters"]
["60-35-5","acetamide;carbamoylmethane;60-35-5","C(C)(N)=O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["75-05-8","acetonitrile;acetonitrile [aka ethyl nitrile];75-05-8","C(C)#N","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["107-02-8","acrolein (2-propenal);acrolein;2-propenal;acrylaldehyde;107-02-8","C(=O)C=C","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","Michael addition|Michael addition >> alpha, beta-unsaturated carabonyl compounds|Michael addition >> alpha, beta-unsaturated carabonyl compounds >> Alpha, Beta-Unsaturated Aldehydes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Alpha, Beta-Unsaturated Aldehydes","Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated aldehydes","alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity","Michael addition|Michael addition >> alpha, beta-unsaturated carabonyl compounds|Michael addition >> alpha, beta-unsaturated carabonyl compounds >> Alpha, Beta-Unsaturated Aldehydes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Alpha, Beta-Unsaturated Aldehydes","alpha,beta-unsaturated carbonyls","alpha,beta-unsaturated carbonyls"]
["628-94-4","adipamide;hexanediamide","C(N)(=O)CCCCC(N)=O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","No S9 info","Mutation Research 584 (2005) 1-256","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity",null,"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["1162-65-8","aflatoxin b1;(6ar-cis)-2,3,6a,9a-tetrahydro-4-methoxycyclopenta[c]furo[3',2':4,5]furo[2,3-h][1]benzopyran-1,11-dione;2,3,6a±,9a±-tetrahydro-4-methoxycyclopenta[c]furo[2',3':4,5]furo[2,3-h]chromene-1,11-dione;2,3,6a?,9a?-tetrahydro-4-methoxycyclopenta[c]furo[2',3':4,5]furo[2,3-h]chromene-1,11-dione;4-methoxy-2,3,6a,9a-tetrahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromene-1,11-dione;4-(methyloxy)-2,3,6a,9a-tetrahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromene-1,11-dione;cyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-1,11-dione, 2,3,6a,9a-tetrahydro-4-methoxy-, (6ar,9as)-;1162-65-8;aflatoxin b<sub>1</sub>;(-)-form","C1(=O)C2C(=O)CCC=2c2c(c3c(cc2OC)OC2C3C=CO2)O1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","Radical|Radical >> Generation of reactive oxygen species|Radical >> Generation of reactive oxygen species >> Coumarins|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Coumarins","No alert found","Coumarins and Furocoumarins (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Coumarins and Furocoumarins","1,3-dialkoxy-benzene|Coumarins and Furocoumarins|H-acceptor-path3-H-acceptor"]
["309-00-2","1,4:5,8-dimethanonaphthalene, 1,2,3,4,10,10-hexachloro-1,4,4a,5,8,8a-hexahydro-, (1r,4s,4as,5s,8r,8ar)-rel-;aldrin;1,2,3,4,10,10-hexachloro-1,4,4a,5,8,8a-hexahydro-(1a,4a,4ab,5a,8a,8ab)-1,4:5,8-dimethanonaphthalene;aldrin [iso];1,2,3,4,10,10-hexachloro-1,4,4a,5,8,8a-hexahydro-1,4:5,8-dimethanonaphthalene;1,4:5,8-dimethanonaphthalene, 1,2,3,4,10,10-hexachloro-1,4,4a,5,8,8a-hexahydro-, (1.alpha.,4.alpha.,4a.beta.,5.alpha.,8.alpha.,8a.beta.)-;aldrin(iso);1,4:5,8-dimethanonaphthalene, 1,2,3,4,10,10-hexachloro-1,4,4a,5,8,8a-hexahydro-, endo,exo-","C12(Cl)C(Cl)(Cl)C(Cl)(C(Cl)=C1Cl)C1C3C=CC(C21)C3","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation >> Vicinal Dihaloalkanes|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives","No alert found","(Poly) Halogenated Cycloalkanes (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives","No alert found","No alert found"]
["309-00-2","1,4:5,8-dimethanonaphthalene, 1,2,3,4,10,10-hexachloro-1,4,4a,5,8,8a-hexahydro-, (1r,4s,4as,5s,8r,8ar)-rel-;aldrin;1,2,3,4,10,10-hexachloro-1,4,4a,5,8,8a-hexahydro-(1a,4a,4ab,5a,8a,8ab)-1,4:5,8-dimethanonaphthalene;aldrin [iso];1,2,3,4,10,10-hexachloro-1,4,4a,5,8,8a-hexahydro-1,4:5,8-dimethanonaphthalene;1,4:5,8-dimethanonaphthalene, 1,2,3,4,10,10-hexachloro-1,4,4a,5,8,8a-hexahydro-, (1.alpha.,4.alpha.,4a.beta.,5.alpha.,8.alpha.,8a.beta.)-;aldrin(iso);1,4:5,8-dimethanonaphthalene, 1,2,3,4,10,10-hexachloro-1,4,4a,5,8,8a-hexahydro-, endo,exo-","C12(Cl)C(Cl)(Cl)C(Cl)(C(Cl)=C1Cl)C1C3C=CC(C21)C3","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation >> Vicinal Dihaloalkanes|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives","No alert found","(Poly) Halogenated Cycloalkanes (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives","No alert found","No alert found"]
["81-49-2","1-amino-2,4-dibromoanthraquinone;1-amino-2,4-dibromo anthraquinone;9,10-anthracenedione, 1-amino-2,4-dibromo-;anthraquinone, 1-amino-2,4-dibromo-;1-amino-2,4-dibromoanthracene-9,10-dione;1-amino-2,4-dibromo-9,10-anthraquinone","c12C(=O)c3c(C(=O)c1c(N)c(Br)cc2Br)cccc3","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","No S9 info","Mutation Research 584 (2005) 1-256","No strain info",null,"In Vitro mammalian chromosome aberration test","Gene mutation","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity",null,"Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","No alert found","Quinones (Genotox)|Structural alert for genotoxic carcinogenicity","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones","Quinones","H-acceptor-path3-H-acceptor|Quinones"]
["121-88-0","2-amino-5-nitrophenol;amino-5-nitrophenol, 2-;phenol, 2-amino-5-nitro-;2amino5nitrophenol;n.c.i. c55970;phenol, 2-amino-5-nitro- (8ci)(9ci)","c1(N)c(O)cc(N(=O)=O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN1 >> Nitrenium ion formation >> Nitro Compounds","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Nitro-aromatic (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","Nitro-aromatic|Primary aromatic amine,hydroxyl amine and its derived esters","H-acceptor-path3-H-acceptor|Nitro-aromatic|Primary aromatic amine, hydroxyl amine and its derived esters"]
["97-56-3","2-methyl-4-[(2-methylphenyl)azo]benzenamine;o-aminoazotoluene;ortho-aminoazotoluene;2-amino-5-azotoluene [o-aminoazotoluene];solvent yellow 3;4-o-tolylazo-o-toluidine;benzenamine, 2-methyl-4-[(2-methylphenyl)azo]-;2-methyl-4-[(e)-(2-methylphenyl)diazenyl]aniline;4otolylazootoluidine;c.i. solvent yellow 3 (8ci)","c1(N)c(C)cc(N=Nc2c(C)cccc2)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic azo|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Aromatic diazo (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","Aromatic diazo|Primary aromatic amine,hydroxyl amine and its derived esters","Aromatic diazo|H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters"]
["2432-99-7","11-aminoundecanoic acid;aminoundecanoic acid, 11-;undecanoic acid, 11-amino-","C(=O)(O)CCCCCCCCCCN","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["142-04-1","aniline hydrochloride;aniline.hcl;benzenamine, hydrochloride","c1(N)ccccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality, Conflict","NO","P&G","No","with S9",null,"TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","Primary aromatic amine,hydroxyl amine and its derived esters","Primary aromatic amine, hydroxyl amine and its derived esters"]
["118-92-3","2-aminobenzoic acid (anthranilic acid) (2-carboxylaniline);anthranilic acid;2-amino-benzoic acid;o-anthranilic acid;2-aminobenzoic acid;benzoic acid, 2-amino-;o-aminobenzoic acid;118-92-3","C(=O)(O)c1c(N)cccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","National Cancer Institute","No","with S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,null,"Short-Term Testing Program in the National Cancer Institute (NCI), National Institutes of Health, US Department of Health and Human Services","Source of metabolic system - rat","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["50-81-7","vitamin c;(r)-5-((s)-1,2-dihydroxy-ethyl)-3,4-dihydroxy-5h-furan-2-one;(s)-5-((s)-1,2-dihydroxy-ethyl)-3,4-dihydroxy-5h-furan-2-one;l-ascorbic acid;ascorbic acid;ascorbic acid, l-;d-erythro-hex-2-enonic acid, .gamma.-lactone;ascorbic acid [ban:inn:jan];ascorbic acid,l-;50-81-7","C1(=O)C(O)=C(O)C(C(O)CO)O1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","No S9 info","Mutation Research 584 (2005) 1-256","No strain info",null,"In Vitro mammalian chromosome aberration test","Gene mutation","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity",null,"No alert found","No alert found","alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","alpha,beta-unsaturated carbonyls","alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor"]
["531-85-1","benzidine dihydrochloride;benzidine.hcl;biphenyl-4,4'-diamine dihydrochloride","c1(-c2ccc(N)cc2)ccc(N)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality, Conflict","NO","Kirkland et al.","No","No S9 info","Mutation Research 584 (2005) 1-256","No strain info",null,"In Vitro mammalian chromosome aberration test","Gene mutation","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity",null,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Primary aromatic amine,hydroxyl amine and its derived esters","Primary aromatic amine, hydroxyl amine and its derived esters"]
["119-53-9","benzoin;ethanone, 2-hydroxy-1,2-diphenyl-;2-hydroxy-1,2-diphenylethanone;(1)-2-hydroxy-1,2-diphenylethan-1-one","c1(C(=O)C(O)c2ccccc2)ccccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["106-51-4","benzoquinone;benzoquinone, 4-;p-benzoquinone;1,4-benzoquinone;2,5-cyclohexadiene-1,4-dione;p-quinone;106-51-4","C1(=O)C=CC(=O)C=C1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones","Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated ketones|Michael addition >> Quinones and Quinone-type Chemicals|Michael addition >> Quinones and Quinone-type Chemicals >> Quinones","Quinones (Genotox)|Structural alert for genotoxic carcinogenicity","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones","Quinones","H-acceptor-path3-H-acceptor|Quinones"]
["95-14-7","1h-benzotriazole;1,2,3-benzotriazole;benzotriazole","c12c(cccc1)N=NN2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["140-11-4","benzyl acetate;acetic acid, phenylmethyl ester;acetic acid, benzyl ester;140-11-4","c1(COC(C)=O)ccccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Specific Acetate Esters|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Specific Acetate Esters|SN2|SN2 >> Acylating agents|SN2 >> Acylating agents >> Specific Acetate Esters|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Specific Acetate Esters","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes","No alert found","Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Specific Acetate Esters|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Specific Acetate Esters|SN2|SN2 >> Acylating agents|SN2 >> Acylating agents >> Specific Acetate Esters|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Specific Acetate Esters","No alert found","H-acceptor-path3-H-acceptor"]
["120-32-1","o-benzyl-p-chlorophenol;5-chloro-2-hydroxydiphenylmethane;benzyl-p-chlorophenol, o-;phenol, 4-chloro-2-(phenylmethyl)-;clorophene;clorofene;o-cresol, 4-chloro-.alpha.-phenyl-;2-benzyl-4-chlorophenol;4-chloro-2-(phenylmethyl)phenol;2-benzyl-4-chlorophenol (nipacide bcp);120-32-1","c1(O)c(Cc2ccccc2)cc(Cl)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes","Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","No alert found"]
["120-32-1","o-benzyl-p-chlorophenol;5-chloro-2-hydroxydiphenylmethane;benzyl-p-chlorophenol, o-;phenol, 4-chloro-2-(phenylmethyl)-;clorophene;clorofene;o-cresol, 4-chloro-.alpha.-phenyl-;2-benzyl-4-chlorophenol;4-chloro-2-(phenylmethyl)phenol;2-benzyl-4-chlorophenol (nipacide bcp);120-32-1","c1(O)c(Cc2ccccc2)cc(Cl)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes","Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","No alert found"]
["111-44-4","ethane, 1,1'-oxybis[2-chloro-;2,2'-dichlorodiethyl ether;bis(2-chloroethyl) ether;bis-2-chloroethylether;bis(2-chloroethyl)ether;2,2'-dichloroethylether;1-chloro-2-(2-chloro-ethoxy)-ethane;ethane, 1,1'-oxybis 2-chloro-;ether, bis(2-chloroethyl);ethane, 1,1'-oxybisХ2-chloro-;ether, bis(chloroethyl);1-chloro-2-(2-chloroethoxy)ethane;bis(2chloroethyl) ether;1,1'-oxybis[2-chloroethane];2,2''-dichlorodiethyl ether;ethane, 1,1'-oxybis(2-chloro-;111-44-4","C(Cl)COCCCl","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","No S9 info","Mutation Research 584 (2005) 1-256","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity",null,"SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Heteroatom","SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides","Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Aliphatic halogens","Aliphatic halogen"]
["33229-34-4","hc blue no. 2;hc blue no. 2 [aka ethanol, 2,2'((4-(2-hydroxyethylamino)-3-nitrophenyl)imino)di-];hc blue 2;hc blue #2;2,2'-[[4-[(2-hydroxyethyl)amino]-3-nitrophenyl]imino]bisethanol;ethanol, 2,2’-[[4-[(2-hydroxyethyl)amino]-3-nitrophenyl]imino]bis-;2,2'-({4-[(2-hydroxyethyl)amino]-3-nitrophenyl}imino)diethanol;ethanol, 2,2'-[[4-[(2-hydroxethyl)amino]-3-nitrophenyl]imino]bis-;ethanol, 2,2'-((4-((2-hydroxyethyl)amino)-3-nitrophenyl)imino)bis- (9ci)","c1(NCCO)c(N(=O)=O)cc(N(CCO)CCO)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro|SN1 >> Nitrenium Ion formation >> Secondary aromatic amine|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine","Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","Nitro-aromatic","H-acceptor-path3-H-acceptor|Nitro-aromatic"]
["75-27-4","1,4-dichlorobenzene;bromodichloromethane;dichlorobromomethane;methane, bromodichloro-;bromo(dichloro)methane;75-27-4","C(Cl)(Cl)Br","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes","No alert found","Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes","Aliphatic halogens","Aliphatic halogen"]
["106-99-0","1,3-butadiene;butadiene;buta-1,3-diene;buta1,3diene,seealsoentries464611","C(=C)C=C","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","National Cancer Institute","No","without S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,null,"Short-Term Testing Program in the National Cancer Institute (NCI), National Institutes of Health, US Department of Health and Human Services",null,"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["88-85-7","phenol, 2-(1-methylpropyl)-4,6-dinitro-;2-sec-butyl-4,6-dinitrophenol (dinoseb);dinitro-6-sec-butylphenol, 2,4-;dinoseb;2-sec-butyl-4,6-dinitrophenol;phenol, 2-sec-butyl-4,6-dinitro-;dinoseb,itssaltsandesterswiththe exceptionofthosespecifiedelsewhereinthis list;2-(1-methylpropyl)-4,6-dinitrophenol;dinoseb (cancelled in u.s.);dinoseb acid (cancelled in u.s.)","c1(N(=O)=O)c(O)c(C(C)CC)cc(N(=O)=O)c1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro","Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Nitro-aromatic","H-acceptor-path3-H-acceptor|Nitro-aromatic"]
["128-37-0","phenol, 2,6-bis(1,1-dimethylethyl)-4-methyl-;2,6-di(tert)butyl-4-methylphenol (bth);butylated hydroxytoluene;2,6-di-tert-butyl-4-methyl-phenol;2,6-di-t-butyl-4-methylphenol (bht);2,6-di-tert-butyl-p-cresol;2,6-bis(1,1-dimethylethyl)-4-methylphenol;p-cresol, 2,6-di-tert-butyl-;butylated hydroxytoluene [usan:ban];2,6-di-tert-butyl-4-methylphenol;2,6-di-t-butyl-4-methylphenol;128-37-0","C(C)(C)(C)c1c(O)c(C(C)(C)C)cc(C)c1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Alkyl phenols","No alert found","No alert found","No alert found","No alert found"]
["404-86-4","capsaicin;6-nonenamide, n- (4-hydroxy-3-methoxyphenyl)meth;6-nonenamide, n- (4-hydroxy-3-methoxyphenyl)methyl -8-methyl-, (e)-;6-nonenamide, 8-methyl-n-vanillyl-, (e)-;6-nonenamide, n-((4-hydroxy-3-methoxyphenyl)methyl)-8-methyl-, (e)-;\"\"capsaicin;6-nonenamide, n-((4-hydroxy-3-methoxyphenyl)methyl)-8-methyl-, (e)-\"\"\";6-nonenamide, n-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methyl-, (e)-;6-nonenamide, n-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methyl-, (6e)-;(6e)-n-(4-hydroxy-3-methoxybenzyl)-8-methylnon-6-enamide;(6e)-n-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methyl-6-nonenamide;(6e)-n-{[4-hydroxy-3-(methyloxy)phenyl]methyl}-8-methylnon-6-enamide","c1(O)c(OC)cc(CNC(=O)CCCCC=CC(C)C)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","National Cancer Institute","No","with S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,null,"Short-Term Testing Program in the National Cancer Institute (NCI), National Institutes of Health, US Department of Health and Human Services","Source of metabolic system - rat","No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["133-06-2","captan;1h-isoindole-1,3(2h)-dione, 3a,4,7,7a-tetrahydro-2-[(trichloromethyl)thio]-;captan 90-concentrate  (solid);2-[(trichloromethyl)sulfanyl]-3a,4,7,7a-tetrahydro-1h-isoindole-1,3(2h)-dione;n(trichloromethylthio)4cyclohexene1,2dicarboximide(captaniso);3a,4,7,7a-tetrahydro-2-[(trichloromethyl)thio]-1h-isoindole-1,3-(2h)-dione;captan/hexachlorobenzene mixture;captan/zineb mixture;captan (thpi degradate);captan (thpam metabolite);2-[(trichloromethyl)thio]-3a,4,7,7a-tetrahydro-1h-isoindole-1,3(2h)-dione;captans;1h-isoindole-1,3(2h)-dione, 3a,4,7,7a-tetrahydro-2-((trichloromethyl)thio)-;133-06-2","C1(=O)C2C(C(=O)N1SC(Cl)(Cl)Cl)CC=CC2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Heteroatom","No alert found","Alkyl halides (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Heteroatom","No alert found","H-acceptor-path3-H-acceptor"]
["56-23-5","methane, tetrachloro-;tetrachloromethane;carbon tetrachloride;carbon-tetrachloride-;carbontetrachloride;56-23-5","C(Cl)(Cl)(Cl)Cl","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"No alert found","No alert found","Alkyl halides (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","No alert found"]
["77-65-6","carbromal;bromodiethylacetylurea;butanamide, n-(aminocarbonyl)-2-bromo-2-ethyl-;urea, (2-bromo-2-ethylbutyryl)-;2-bromo-n-carbamoyl-2-ethylbutanamide;carbromal(inn);n-(aminocarbonyl)-2-bromo-2-ethylbutanamide;77-65-6","C(=O)(C(Br)(CC)CC)NC(N)=O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["2244-16-8","d-carvone;carvone;2-cyclohexen-1-one, 2-methyl-5-(1-methylethenyl);carvone, d-;(s)-2-methyl-5-(1-methylvinyl)cyclohex-2-en-1-one;2-cyclohexen-1-one, 2-methyl-5-(1-methylethenyl)-, (s)-;2-cyclohexen-1-one, 2-methyl-5-(1-methylethenyl)-, (5s)-;(5s)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-one;(5s)-2-methyl-5-(1-methylethenyl)-2-cyclohexen-1-one;(5s)-2-methyl-5-(1-methylethenyl)cyclohex-2-en-1-one;2244-16-8","C1(=O)C(C)=CCC(C(=C)C)C1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated ketones","alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","alpha,beta-unsaturated carbonyls","alpha,beta-unsaturated carbonyls"]
["120-80-9","catechol (1,2-dihydroxybenzene);catechol;benzene-1,2-diol;1,2-benzenediol;1,2-dihydroxybenzene;pyrocatechol;pyrocatechine;pyrocatechol(catechol)","c1(O)c(O)cccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["57-74-9","chlordane;1,2,4,5,6,7,8,8-octachloro-2,3,3a,4,7,7a-hexahydro-4,7-methano-1h-indene;chlordane , pur;1,2,4,5,6,7,8,8-octachloro-2,3,3a,4,7,7a-hexahydro-1h-4,7-methanoindene;4,7-methano-1h-indene, 1,2,4,5,6,7,8,8-octachloro-2,3,3a,4,7,7a-hexahydro-;chlordane,pur;chlordane/heptachlor mixture;chlordane/petroleum distillate mixture;chlordane/dcpa mixture","C12(Cl)C(Cl)(Cl)C(Cl)(C(Cl)=C1Cl)C1C(Cl)C(Cl)CC21","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","No S9 info","Mutation Research 584 (2005) 1-256","No strain info",null,"In Vitro mammalian chromosome aberration test","Gene mutation","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity",null,"SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation >> Vicinal Dihaloalkanes|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives","SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> 1,2-Dihaloalkanes","(Poly) Halogenated Cycloalkanes (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives","No alert found","No alert found"]
["100-00-5","benzene, 1-chloro-4-nitro-;1-chloro-4-nitrobenzene;chloro-4-nitrobenzene, 1-;p-chloronitrobenzene;4-chloronitrobenzene;1chloro4nitrobenzene;100-00-5","c1(Cl)ccc(N(=O)=O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro","Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","Nitro-aromatic","Nitro-aromatic"]
["5131-60-2","4-chloro-m-phenylenediamine;4-chloro-meta-phenylenediamine;1,3-benzenediamine, 4-chloro-;4-chlorobenzene-1,3-diamine;m-phenylenediamine, 4-chloro-","c1(Cl)c(N)cc(N)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Primary aromatic amine,hydroxyl amine and its derived esters","Primary aromatic amine, hydroxyl amine and its derived esters"]
["95-79-4","5-chloro-2-methylaniline;5-chloro-o-toluidine;5-chloro-orto-toluidine;benzenamine, 5-chloro-2-methyl-;o-toluidine, 5-chloro-;fast red kb base;95-79-4","c1(C)c(N)cc(Cl)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","No S9 info","Mutation Research 584 (2005) 1-256","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity",null,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Primary aromatic amine,hydroxyl amine and its derived esters","Primary aromatic amine, hydroxyl amine and its derived esters"]
["107-20-0","chloroacetaldehyde;acetaldehyde, chloro-;107-20-0","C(=O)CCl","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups","Schiff base formers|Schiff base formers >> Direct Acting Schiff Base Formers|Schiff base formers >> Direct Acting Schiff Base Formers >> Mono aldehydes","Aliphatic halogens (Genotox)|Simple aldehyde (Genotox)|Structural alert for genotoxic carcinogenicity","Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups","Aliphatic halogens|Simple aldehyde","Aliphatic halogen|Simple aldehyde"]
["532-27-4","2-chloroacetophenone;a-chloroactophenone;2-chloro-1-phenylethanone;ethanone, 2-chloro-1-phenyl-;532-27-4","C(=O)(c1ccccc1)CCl","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups","No alert found","Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity","Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups","Aliphatic halogens","Aliphatic halogen"]
["108-90-7","benzene, chloro-;chlorobenzene;monochlorobenzene;chloro-benzene;monochlorobenzene,;108-90-7","c1(Cl)ccccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","No alert found","Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","No alert found"]
["6959-47-3","2-(chloromethyl)pyridine hydrochloride;2-(chloromethyl)pyridine hydrohloride;pyridine, 2-(chloromethyl)-, hydrochloride","c1(CCl)ccccn1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality, Conflict","NO","P&G","No","without S9",null,"TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups","SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides","Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity","Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups","Aliphatic halogens","Aliphatic halogen"]
["150-68-5","diuron;monuron;3-(p-chlorophenyl)-1,1-dimethylurea;urea, n'-(4-chlorophenyl)-n,n-dimethyl-;urea, 3-(p-chlorophenyl)-1,1-dimethyl-;urea, n’-(4-chlorophenyl)-n,n-dimethyl-;3-(4-chlorophenyl)-1,1-dimethylurea;monuron pellet formulation;monuron formulation;150-68-5","c1(Cl)ccc(NC(=O)N(C)C)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives","SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic phenylureas","Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives","No alert found","H-acceptor-path3-H-acceptor"]
["1897-45-6","1,3-benzenedicarbonitrile, 2,4,5,6-tetrachloro-;tetrachloro isophthalonitrile;chlorothalonil;isophthalonitrile, tetrachloro-;2,4,5,6-tetrachloroisophthalonitrile;2,4,5,6-tetrachloro-1,3-benzenedicarbonitrile;chorothalonil;chlorothalonil(degradate)","C(#N)c1c(Cl)c(C#N)c(Cl)c(Cl)c1Cl","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["113-92-8","chlorpheniramine maleate;2-pyridinepropanamine, ?-(4-chlorophenyl)-n,n-dimethyl-, (z)-2-butenedioate (1:1);3-(4-chlorophenyl)-n,n-dimethyl-3-pyridin-2-ylpropan-1-aminium (2z)-3-carboxyprop-2-enoate","c1(C(c2ccc(Cl)cc2)CCN(C)C)ccccn1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Moderate Quality, Conflict","NO","P&G","No","with S9",null,"TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","No alert found","No alert found","No alert found","No alert found"]
["87-29-6","cinnamyl anthranilate;2-propen-1-ol, 3-phenyl-, 2-aminobenzoate;benzoic acid, 2-amino-, 3-phenyl-2-propenyl ester;anthranilic acid, cinnamyl ester;(2e)-3-phenylprop-2-en-1-yl 2-aminobenzoate;3-phenyl-2-propen-1-ol;(<i>e</i>)-form, 2-aminobenzoyl","C(=O)(c1c(N)cccc1)OCC=Cc1ccccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Primary aromatic amine,hydroxyl amine and its derived esters","H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters"]
["87-29-6","cinnamyl anthranilate;2-propen-1-ol, 3-phenyl-, 2-aminobenzoate;benzoic acid, 2-amino-, 3-phenyl-2-propenyl ester;anthranilic acid, cinnamyl ester;(2e)-3-phenylprop-2-en-1-yl 2-aminobenzoate;3-phenyl-2-propen-1-ol;(<i>e</i>)-form, 2-aminobenzoyl","C(=O)(c1c(N)cccc1)OCC=Cc1ccccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Primary aromatic amine,hydroxyl amine and its derived esters","H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters"]
["108-94-1","cyclohexanone;108-94-1","C1(=O)CCCCC1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","National Cancer Institute","No","with S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,null,"Short-Term Testing Program in the National Cancer Institute (NCI), National Institutes of Health, US Department of Health and Human Services","Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["1596-84-5","daminozide;succinic acid 2,2-dimethylhydrazide;succinic acid-2,2-dimethyl hydrazide;4-(2,2-dimethylhydrazino)-4-oxobutanoic acid;butanedioic acid, mono(2,2-dimethylhydrazide);mono(2,2-dimethylhydrazide)butanedioic acid;1596-84-5","C(=O)(O)CCC(=O)NN(C)C","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 97","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","No alert found","Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Hydrazine","H-acceptor-path3-H-acceptor|Hydrazine"]
["1596-84-5","daminozide;succinic acid 2,2-dimethylhydrazide;succinic acid-2,2-dimethyl hydrazide;4-(2,2-dimethylhydrazino)-4-oxobutanoic acid;butanedioic acid, mono(2,2-dimethylhydrazide);mono(2,2-dimethylhydrazide)butanedioic acid;1596-84-5","C(=O)(O)CCC(=O)NN(C)C","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","No alert found","Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Hydrazine","H-acceptor-path3-H-acceptor|Hydrazine"]
["53-19-0","2-(2-chlorophenyl)-2-(4-chlorophenyl)-1,1-dichloroethane;o,p'-ddd;mitotane;benzene, 1-chloro-2-[2,2-dichloro-1-(4-chlorophenyl)ethyl]-;1-chloro-2-[2,2-dichloro-1-(4-chlorophenyl)ethyl]benzene;2,4'-ddd","c1(Cl)c(C(c2ccc(Cl)cc2)C(Cl)Cl)cccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes","Acylation|Acylation >> P450 Mediated Activation to Acyl Halides|Acylation >> P450 Mediated Activation to Acyl Halides >> 1,1-Dihaloalkanes","Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes","Aliphatic halogens","Aliphatic halogen"]
["50-29-3","clofenotane;p,p'-ddt;ddt, p,p'-;ddt;1,1-(2,2,2-trichloroethylidene)bis(4-chlorobenzene);dichlorodiphenyl trichloroethane (ddt);1,1'-(2,2,2-trichloroethylidene) bis(4-chloro)-benzene;dichloro diphenyl trichloroethane;benzene, 1,1'-(2,2,2-trichloroethylidene)bis[4-chloro-;benzene, 1,1'-(2,2,2-trichloroethylidene)bis 4-chloro-;ethane, 1,1,1-trichloro-2,2-bis(p-chlorophenyl)-;benzene, 1,1'-(2,2,2-trichloroethylidene)bis(4-chloro-;1,1'-(2,2,2-trichloroethane-1,1-diyl)bis(4-chlorobenzene);clofenotane(inn);ddt(iso);1,1'-(2,2,2-trichloroethylidene)bis[4-chlorobenzene];ddt (cancelled in u.s.);4,4''-dichlorodiphenyltrichloroethane;1,1,1-trichloro-2,2-bis-(4-chlorophenyl) ethane;50-29-3","C(Cl)(Cl)(Cl)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes","No alert found","Alkyl halides (Nongenotox)|Halogenated PAH (naphthalenes, biphenyls, diphenyls) (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes","No alert found","No alert found"]
["1163-19-5","benzene, 1,1'-oxybis[2,3,4,5,6-pentabromo-;decabromobiphenyl oxide;decabromodiphenyl ether;decabromodiphenyl oxide;decabromodiphenyl oxide, technical grade (77.4% dbdpo, 21.8% nonabromodiphenyl oxide, 0.8% octabromodiphenyl oxide);benzene, 1,1 -oxybis[2,3,4,5,6-pentabromo-;decabromo diphenyloxide;decabromodiphenil oxide;bis(pentabromophenyl) ether;benzene, 1,1’-oxybis[2,3,4,5,6-pentabromo-;1,1'-oxybis(2,3,4,5,6-pentabromobenzene);benzene, 1,1'-oxybis 2,3,4,5,6-pentabromo-;ether, bis(pentabromophenyl);benzene, 1,1'-oxybisХ2,3,4,5,6-pentabromo-;1,1'-oxybis(pentabromobenzene);benzene, 1,1'-oxybis(2,3,4,5,6-pentabromo-","c1(Br)c(Br)c(Br)c(Br)c(Br)c1Oc1c(Br)c(Br)c(Br)c(Br)c1Br","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"No alert found","No alert found","Halogenated PAH (naphthalenes, biphenyls, diphenyls) (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","1-phenoxy-benzene"]
["52918-63-5","deltamethrin [bsi:iso];deltamethrin;[1r-[1 alpha(s*),3 alpha]]cyano(3-phenoxyphenyl)methyl ester 3-(2,2-dibromoethenyl)-2,2-dimethyl cyclopropane carboxylic acid;decamethrin;deltamethrin [aka cyclopropane carboxylic acid, 3-(2,2-dibromoethenyl)-2,2-dimethyl-, cyano(3-phenoxyphenyl)methyl ester];(s)-alpha-cyano-m-phenoxybenzyl (1r,3r)-3-(2,2-dibromovinyl)-2,2-dimet;±-cyano-3-phenoxybenzyl [1r-[1±(s*),3±]]-3-(2,2-dibromovinyl)-2,2-dimethylcyclopropanecarboxylate;?-cyano-3-phenoxybenzyl [1r-[1?(s*),3?]]-3-(2,2-dibromovinyl)-2,2-dimethylcyclopropanecarboxylate;(s)-cyano(3-phenoxyphenyl)methyl (1r,3r)-3-(2,2-dibromovinyl)-2,2-dimethylcyclopropanecarboxylate;cyclopropanecarboxylic acid, 3-(2,2-dibromoethenyl)-2,2-dimethyl-, cyano(3-phenoxyphenyl)methyl ester, [1r-[1.alpha.(s*),3.alpha.]]-;(1r,3r)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropanecarboxylic acid (s)cyano(3-phenoxyphenyl)methyl ester;deltamethrin/tralomethrin mixture;(s)-cyano[3-(phenyloxy)phenyl]methyl (1r,3r)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropanecarboxylate;cyclopropanecarboxylic acid, 3-(2,2-dibromoethenyl)-2,2-dimethyl-, cyano(3-phenoxyphenyl)methyl ester, (1r-(1-alpha(s*),3-alpha))-;52918-63-5","C(#N)C(c1cc(Oc2ccccc2)ccc1)OC(=O)C1C(C)(C)C1C=C(Br)Br","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","No S9 info","Mutation Research 584 (2005) 1-256","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity",null,"Acylation|Acylation >> Acyl transfer via nucleophilic addition reaction|Acylation >> Acyl transfer via nucleophilic addition reaction >> Haloalkenes with Electron-Withdrawing Groups|SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Haloalkenes with Electron-Withdrawing Groups|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Haloalkenes with Electron-Withdrawing Groups","No alert found","No alert found","Acylation|Acylation >> Acyl transfer via nucleophilic addition reaction|Acylation >> Acyl transfer via nucleophilic addition reaction >> Haloalkenes with Electron-Withdrawing Groups|SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Haloalkenes with Electron-Withdrawing Groups|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Haloalkenes with Electron-Withdrawing Groups","No alert found","1-phenoxy-benzene|H-acceptor-path3-H-acceptor"]
["131-17-9","diallylphthalate;phthalic acid, diallylester;diallyl phthalate;1,2-benzenedicarboxylic acid, 1,2-di-2-propen-1-yl ester;diallyl phtalate;1,2-benzenedicarboxylic acid, di-2-propenyl ester;phthalic acid diallylester;phthalic acid, diallyl ester","C(=O)(c1c(C(=O)OCC=C)cccc1)OCC=C","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","No alert found","Phtalate (or buthyl) diesters and monoesters (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["439-14-5","diazepam;2h-1,4-benzodiazepin-2-one, 7-chloro-1,3-dihydro-1-methyl-5-phenyl-;7-chloro-1-methyl-5-phenyl-1,3-dihydro-2h-1,4-benzodiazepin-2-one;7-chloro-1,3-dihydro-1-methyl-5-phenyl-2h-1,4 benzodiazepine","c1(C2c3c(ccc(Cl)c3)N(C)C(=O)CN=2)ccccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","No alert found","Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["333-41-5","phosphorothioic acid, o,o-diethyl o-[6-methyl-2-(1-methylethyl)-4-pyrimidinyl] ester;diazinon;diazinon (technical);phosphorothioic acid, o,o-diethyl o-(2-isopropyl-6-methyl-4-pyrimidinyl) ester;phosphorothioic acid, o,o-diethyl o-Х6-methyl-2-(1-methylethyl)-4-pyrimidinylеester;phosphorothioic acid, o,o-diethyl 2-isopropyl-6-methyl-4-pyrimidinyl ester;o,o-diethyl o-(2-isopropyl-6-methylpyrimidin-4-yl) phosphorothioate;o,o-diethyl o-[6-methyl-2-(1-methylethyl)-4-pyrimidinyl] ester phosphorothioic acid;diazinon (san 326 10 g);diazinon 2fm (knox out);diazinon (ag 500 formulation);diazinon/piperonyl butoxide/pyrethrin mix;o,o-diethyl o-[6-methyl-2-(1-methylethyl)pyrimidin-4-yl] thiophosphate;phosphorothioic acid, o,o-dimethyl o-[6-methyl-2-(1-methylethyl)-4-pyrimidinyl] ester;o,o-diethyl-o-(2-isopropyl-4-methyl-6-pyrimidinyl) thiophosphoric acid);phosphorothioic acid, o,o-diethyl o-(6-methyl-2-(1-methylethyl)-4-pyrimidinyl) ester;333-41-5","c1(C(C)C)nc(OP(=S)(OCC)OCC)cc(C)n1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates","No alert found","No alert found","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates","No alert found","No alert found"]
["96-12-8","propane, 1,2-dibromo-3-chloro-;dibromochloropropane;1,2-dibromo-3-chloropropane;1,2dibromo3chloropropane;96-12-8","C(Br)(CCl)CBr","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","SN2|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation >> Vicinal Dihaloalkanes","SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> 1,2-Dihaloalkanes","Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Aliphatic halogens","Aliphatic halogen"]
["87-56-9","mucochloric acid;alpha,beta-dichloro-beta-formylacrylic acid;2-butenoic acid, 2,3-dichloro-4-oxo-, (2z)-;2-butenoic acid, 2,3-dichloro-4-oxo-, (z)-;malealdehydic acid, dichloro-;(2z)-2,3-dichloro-4-oxobut-2-enoic acid;2-butenoic acid, 2,3-dichloro-4-oxo-, (z)- (9ci)","C(=O)(O)C(Cl)=C(Cl)C=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","N/A","YES","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"Acylation|Acylation >> Acyl transfer via nucleophilic addition reaction|Acylation >> Acyl transfer via nucleophilic addition reaction >> Haloalkenes with Electron-Withdrawing Groups|Michael addition|Michael addition >> alpha, beta-unsaturated carabonyl compounds|Michael addition >> alpha, beta-unsaturated carabonyl compounds >> Alpha, Beta-Unsaturated Aldehydes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Alpha, Beta-Unsaturated Aldehydes|SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Haloalkenes with Electron-Withdrawing Groups|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Haloalkenes with Electron-Withdrawing Groups|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives","No alert found","alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity","Acylation|Acylation >> Acyl transfer via nucleophilic addition reaction|Acylation >> Acyl transfer via nucleophilic addition reaction >> Haloalkenes with Electron-Withdrawing Groups|Michael addition|Michael addition >> alpha, beta-unsaturated carabonyl compounds|Michael addition >> alpha, beta-unsaturated carabonyl compounds >> Alpha, Beta-Unsaturated Aldehydes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Alpha, Beta-Unsaturated Aldehydes|SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Haloalkenes with Electron-Withdrawing Groups|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Haloalkenes with Electron-Withdrawing Groups|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives","alpha,beta-unsaturated carbonyls","alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor"]
["106-46-7","benzene, 1,4-dichloro-;1,4-dichlorobenzene;dichlorobenzene, 1,4-;dichlorobenzene, p-;dichlorobenzene;para-dichlorobenzene;p-dichlorobenzene;1,4-dichlorobenzene (p-dichlorobenzene);benzene, p-dichloro-;1,4dichlorobenzene;(pdichlorobenzene);paradichlorobenzene;106-46-7","c1(Cl)ccc(Cl)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","No alert found","Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","No alert found"]
["75-34-3","1,1-dichloroethane;dichloroethane, 1,1-;ethane, 1,1-dichloro-;75-34-3","C(C)(Cl)Cl","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes","Acylation|Acylation >> P450 Mediated Activation to Acyl Halides|Acylation >> P450 Mediated Activation to Acyl Halides >> 1,1-Dihaloalkanes","Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes","Aliphatic halogens","Aliphatic halogen"]
["107-06-2","1,2-dichloroethane;dichloroethane, 1,2-;ethylene dichloride;ethane, 1,2-dichloro-;1,2-dichloro-ethane;dichloroethanes (ethylenechlorides) e.g.1,2dichloroethane;107-06-2","C(Cl)CCl","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","SN2|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation >> Vicinal Dihaloalkanes","SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> 1,2-Dihaloalkanes","Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Aliphatic halogens","Aliphatic halogen"]
["94-75-7","acetic acid, 2-(2,4-dichlorophenoxy)-;dichlorophenoxyacetic acid, 2,4-;2,4-dichlorophenoxyacetic acid;(2,4-dichloro-phenoxy)-acetic acid;2,4-d ph < 5;2,4-d ph > 5;2,4-d (2,4-dichlorophenoxyacetic acid);2,4-dichlorophenoxyaceticacid;2,4-d;(2,4-dichlorophenoxy)acetic acid;2,4-dichloro-phenoxyacetic acid;acetic acid, (2,4-dichlorophenoxy)-;2-(2,4-dichlorophenoxy)acetic acid;2,4-d acid;2,4-d acid/2,4,5-t mixture (emulsamine);2,4-d/mcpp mixture;2,4-d/picloram potassium salt mixture;2,4-d/picloram potassium salt (tordon 22k);94-75-7","c1(OCC(=O)O)c(Cl)cc(Cl)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["62-73-7","dichlorvos;phosphoric acid, 2,2-dichloroethenyl dimethyl ester;phosphoric acid, 2,2-dichlorovinyl dimethyl ester;2,2-dichlorovinyl dimethyl phosphate;phosphoric acid 2,2-dichloroethenyl dimethyl ester;2,2-dichloroethenyl dimethyl phosphate;62-73-7","C(Cl)(Cl)=COP(=O)(OC)OC","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates","No alert found","Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid (Genotox)|Structural alert for genotoxic carcinogenicity","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates","Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid","Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid|H-acceptor-path3-H-acceptor"]
["115-32-2","dicofol;dicofol (kelthane);kelthane;dicofol op;dicofol = kelthane;trichloroethanol, 1,1-bis(parachlorophenyl)2,2,2-;2,2,2-trichloro-1,1-bis(4-chlorophenyl)ethanol;benzenemethanol, 4-chloro-.alpha.-(4-chlorophenyl)-.alpha.-(trichloromethyl)-;4-chloro-alpha-(4-chlorophenyl)-alpha-(trichloromethyl)benzenemethanol;dicofol kethane 35 formulation;dicofol (kelthane 35);1,1-bis(p-chlorophenyl)-2,2,2-trichloroethanol;1,1-bis (p-chlorophenyl)-2,2,2-trichloroethanol;benzenemethanol, 4-chloro-alpha-(4-chlorophenyl)-alpha-(trichloromethyl)-;115-32-2","C(Cl)(Cl)(Cl)C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes","No alert found","Alkyl halides (Nongenotox)|Halogenated PAH (naphthalenes, biphenyls, diphenyls) (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes","No alert found","No alert found"]
["13366-73-9","photodieldrin;dieldrin, photo-;2a,3,3,4,5,5a-hexachlorodecahydro-1ah-2,4,6-(methanetriyl)cyclopenta[4,5]pentaleno[1,2-b]oxirene","C12(Cl)C3(Cl)C(Cl)(Cl)C(Cl)(C4C5C6C(C(C34)C15)O6)C2Cl","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","No S9 info","Mutation Research 584 (2005) 1-256","No strain info",null,"In Vitro mammalian chromosome aberration test","Gene mutation","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity",null,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation >> Vicinal Dihaloalkanes","SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides","(Poly) Halogenated Cycloalkanes (Nongenotox)|Epoxides and aziridines (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines","Epoxides and aziridines","Epoxides and aziridines"]
["60-51-5","phosphorodithioic acid, o,o-dimethyl s-[2-(methylamino)-2-oxoethyl] ester;dimethoate;o,o-dimethyl-s-(n-methylcarbamoylmethyl) phosphorodithioate;phosphorodithioic acid, o,o-dimethyl s-[2-methylamino)-2-oxoethyl]ester;phosphorodithioic acid, o,o-dimethyl ester, s-ester with 2-mercapto-n-methylacetamide;phosphorodithioic acid, o,o-dimethyl s-(2-(methylamino)-2-oxoethyl) ester;phosphorodithioic acid, o,o-dimethyl s-(methylcarbamoylmethyl) ester;o,o-dimethyl s-[2-(methylamino)-2-oxoethyl] phosphorodithioate;dimethoate ( replicate study i);dimethoate (replicate study ii);dimethoate (cygon 267 formulation);o,o-dimethyl s-[2-(methylamino)-2-oxoethyl] dithiophosphate;60-51-5","C(=O)(CSP(=S)(OC)OC)NC","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates","No alert found","No alert found","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates","No alert found","H-acceptor-path3-H-acceptor"]
["868-85-9","dimethyl hydrogen phosphite;phosphonic acid, dimethyl ester;dimethyl phosphite;dimethyl hydrogen phosphate;dimethyl phosphonate;868-85-9","COP(=O)OC","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","No S9 info","Mutation Research 584 (2005) 1-256","No strain info",null,"In Vitro mammalian chromosome aberration test","Gene mutation","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity",null,"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates","No alert found","Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid (Genotox)|Structural alert for genotoxic carcinogenicity","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates","Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid","Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid|H-acceptor-path3-H-acceptor"]
["597-25-1","dimethylmorpholinophosphoramidate;dimethyl morpholinophosphoramidate;dimethyl morpholin-4-ylphosphonate;phosphonic acid, 4-morpholinyl-, dimethyl ester (9ci);597-25-1","C1CN(P(=O)(OC)OC)CCO1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates","No alert found","Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid (Genotox)|Structural alert for genotoxic carcinogenicity","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates","Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid","Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid|H-acceptor-path3-H-acceptor"]
["120-61-6","dimethyl terephthalate;1,4-benzenedicarboxylic acid, 1,4-dimethyl ester;dimethylterephthalate;1,4-benzenedicarboxylic acid, dimethyl ester;terephthalic acid, dimethyl ester;dimethyl benzene-1,4-dicarboxylate","C(=O)(c1ccc(C(=O)OC)cc1)OC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["57-97-6","7,12-dimethylbenz[a]anthracene;7,12-dimethylbenz(a)anthracene;7,12-dimethyl-1,2-benz(a)anthracene;7,12-dime-benz(a)anthracene;9,10-dimethyl-1,2-benzanthracene;7,12-dimethyl benzanthracene;benz[a]anthracene, 7,12-dimethyl-;dimethylbenz[a]anthracene (dmba);7,12-dimethyltetraphene;7,12-dimethylbenz[alpha]anthracene;benz(a)anthracene, 7,12-dimethyl-;57-97-6","c12c(c3c(C)c4c(c(C)c3cc1)cccc4)cccc2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition|SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1","Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons"]
["612-82-8","3,3'-dimethylbenzidine 2hcl;[1,1’-biphenyl]-4,4’-diamine, 3,3’-dimethyl-, dihydrochloride;3,3'-dimethylbiphenyl-4,4'-diamine dihydrochloride","c1(-c2cc(C)c(N)cc2)cc(C)c(N)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality, Conflict","NO","Kirkland et al.","No","No S9 info","Mutation Research 584 (2005) 1-256","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity",null,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Primary aromatic amine,hydroxyl amine and its derived esters","Primary aromatic amine, hydroxyl amine and its derived esters"]
["57-14-7","1,1-dimethylhydrazine;n,n-dimethyl-hydrazine;dimazine;dimethyl hydrazine;n,n-dimethylhydrazine;hydrazine, 1,1-dimethyl-;57-14-7","CN(C)N","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - mouse","Nucleophilic addition|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization >> Hydrazine Derivatives|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Hydrazine Derivatives","No alert found","Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Hydrazine","H-acceptor-path3-H-acceptor|Hydrazine"]
["121-14-2","2,4-dinitrotoluene;dinitrotoluene, 2,4-;2,4-dinitrotoluene (containing 1.0-1.5% 2,6-dinitrotoluene);2,4-dinitrotoluene (containing 0.5% 2,6-dinitrotoluene);2,4-dinitrotoluene, practical grade;benzene, 1-methyl-2,4-dinitro-;2,4-dinitro-1-methylbenzene;2,4-dinitrotoluene (purified);toluene, 2,4-dinitro-;1-methyl-2,4-dinitrobenzene;2,4dinitrotoluene;dinitrotoluene,technical grade","c1(C)c(N(=O)=O)cc(N(=O)=O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro","Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","Nitro-aromatic","Nitro-aromatic"]
["123-91-1","1,4-dioxane;1,4,-dioxane;[1,4]dioxane;1-4 dioxane;p-dioxane;dioxane","C1COCCO1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["74-31-7","1,4-benzenediamine, n1,n4-diphenyl-;n.n'-diphenyl-p-phenylenediamine;n,n'-diphenyl-p-phenylenediamine;n,n'-diphenyl-p-benzenediamine;diphenyl-p-phenylenediamine;1,4-benzenediamine, n,n -diphenyl-;1,4-benzenediamine, n,n'-diphenyl-;1,4-benzenediamine, n,n’-diphenyl-;p-phenylenediamine, n,n'-diphenyl-;n,n'-diphenylbenzene-1,4-diamine;n,n'-diphenyl-1,4-benzenediamine;n.n''-diphenyl-p-phenylenediamine;4,4'-diphenyl-p-phenylenediamine","c1(Nc2ccccc2)ccc(Nc2ccccc2)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","No S9 info","Mutation Research 584 (2005) 1-256","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity",null,"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["562-10-7","doxylamine succinate;n,n-dimethyl-2-(1-phenyl-1-pyridin-2-ylethoxy)ethanamine succinate","c1(C(C)(c2ccccc2)OCCN(C)C)ccccn1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality, Conflict","NO","Kirkland et al.","No","No S9 info","Mutation Research 584 (2005) 1-256","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity",null,"No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes|SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["115-29-7","endosulfan;endosulfan, technical grade;6,7,8,9,10,10-hexachloro-1,5,5a,6,9,9a-hexahydro-6,9-methano-2,4,3-benzodioxathiepine 3-oxide;6,9-methano-2,4,3-benzodioxathiepin, 6,7,8,9,10,10-hexachloro-1,5,5a,6,9,9a-hexahydro-, 3-oxide;6,7,8,9,10,10-hexachloro-1,5,5a,6,9,9a-hexahydro-6,9-methano-2,4,3-benzodioxathiepin 3-oxide;endosulfan/methyl parathion mixture;115-29-7","C12(Cl)C(Cl)(Cl)C(Cl)(C(Cl)=C1Cl)C1C2COS(=O)OC1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation >> Vicinal Dihaloalkanes|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives","No alert found","(Poly) Halogenated Cycloalkanes (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives","No alert found","H-acceptor-path3-H-acceptor"]
["106-89-8","epichlorohydrin;oxirane, 2-(chloromethyl)-;1-chloro-2,3-epoxypropane;(chloromethyl)oxirane;epichlorhydrin;(chloromethyl) oxirane;oxirane, (chloromethyl)-;propane, 1-chloro-2,3-epoxy-;2-(chloromethyl)oxirane;1chloro2,3epoxypropane (epichlorohydrin);106-89-8","C1(CCl)CO1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines","SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides","Aliphatic halogens (Genotox)|Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines","Aliphatic halogens|Epoxides and aziridines","Aliphatic halogen|Epoxides and aziridines"]
["6381-77-7","sodium erythorbate;d-erythro-hex-2-enonic acid, .gamma.-lactone, monosodium salt;araboascorbic acid, monosodium salt, d-\"\"\";2,3-didehydro-3-o-sodio-d-erythro-hexono-1,4-lactone;d-erythro-hex-2-enonic acid, ?-lactone, monosodium salt;gamma-lactone-d-erythro-hex-2-enoic acid monosodium salt;sodium (2r)-2-[(2r)-3,4-dihydroxy-5-oxo-2,5-dihydrofuran-2-yl]-2-hydroxyethanolate","C1(=O)C(O)=C(O)C(C(O)CO)O1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality, Conflict","NO","Kirkland et al.","No","No S9 info","Mutation Research 584 (2005) 1-256","No strain info",null,"In Vitro mammalian chromosome aberration test","Gene mutation","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity",null,"No alert found","No alert found","alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","alpha,beta-unsaturated carbonyls","alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor"]
["67-21-0","dl-ethionine;2-amino-4-ethylsulfanyl-butyric acid;ethionine dl-;homocysteine, s-ethyl-;dl-2-amino-4-(ethylthio)butyric acid;s-ethylhomocysteine;dl-homocysteine, s-ethyl-;s-ethyl-dl-homocysteine;butyric acid, 2-amino-4-(ethylthio)-, dl-","C(=O)(O)C(N)CCSCC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 97","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["140-88-5","ethyl acrylate;2-propenoic acid;2-propenoic acid, ethyl ester;acrylic acid ethyl ester;ethylacrylate,whenusedasafragrance ingredient;140-88-5;et ester","C(=O)(C=C)OCC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","No S9 info","Mutation Research 584 (2005) 1-256","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity",null,"No alert found","Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated esters","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["72-56-0","p,p'-ethyl-ddd;1,1-dichloro-2,2-bis(ethylphenyl)ethane;di(p-ethylphenyl)dichloroethane;1,1-dichloro-2,2-bis(4-ethylphenyl)ethane;1,1'-(2,2-dichloroethane-1,1-diyl)bis(4-ethylbenzene);benzene, 1,1'-(2,2-dichloroethylidene)bis[4-ethyl-;1,1-bis(ethylphenyl)-2,2-dichloroethane;benzene, 1,1'-(2,2-dichloroethylidene)bis(4-ethyl-;72-56-0","c1(C(c2ccc(CC)cc2)C(Cl)Cl)ccc(CC)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes","Acylation|Acylation >> P450 Mediated Activation to Acyl Halides|Acylation >> P450 Mediated Activation to Acyl Halides >> 1,1-Dihaloalkanes|Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes","Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes","Aliphatic halogens","Aliphatic halogen"]
["107-21-1","ethylene glycol;ethane-1,2-diol;1,2-ethanediol;glycolethylene glycol;ethyleneglycol;107-21-1","C(O)CO","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["96-45-7","2-imidazolidinethione;ethylenethiourea;ethylene thiourea;n,n'-ethylenethiourea;imidazolidine-2-thione;imidazolidine2thione(ethylenethiourea);2-mercaptoimidazoline;2-mercapto imidazoline","C1(=S)NCCN1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives","No alert found","Structural alert for nongenotoxic carcinogenicity|Thiocarbonyl (Nongenotox)","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["470-82-6","cineole;1,8-cineole;eucalyptol;2-oxabicyclo[2.2.2]octane, 1,3,3-trimethyl-;eucalyptol [usan];1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane;2-oxabicyclo(2.2.2)octane, 1,3,3-trimethyl-;1,8-epoxy-<i>p</i>-menthane","C1(C)(C)C2CCC(C)(CC2)O1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["97-53-0","eugenol (4-allyl-2-methoxyphenol);eugenol;4-allyl-2-methoxy-phenol;1-allyl-3-methoxy-4-hydroxybenzene;phenol, 2-methoxy-4-(2-propenyl)-;phenol, 4-allyl-2-methoxy-;2-methoxy-4-(prop-2-en-1-yl)phenol;2-methoxy-4-(2-propenyl)phenol;4-allyl-2-methoxyphenol;97-53-0","c1(O)c(OC)cc(CC=C)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones|SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Allyl benzenes","Alkylbenzenes (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["55-38-9","fenthion [ban];fenthion;o,o-dimethyl o-[3-methyl-4-(methylthio)phenyl]ester phosphorothioic acid;o,o-dimethyl o-[3-methyl-4-(methylsulfanyl)phenyl] phosphorothioate;phosphorothioic acid, o,o-dimethyl o-[3-methyl-4-(methylthio)phenyl] ester;o,o-dimethyl o-[3-methyl-4-(methylthio)phenyl] thiophosphate;fenthion (mpp);phosphorothioic acid, o,o-dimethyl o-(3-methyl-4-(methylthio)phenyl) ester;55-38-9","c1(SC)c(C)cc(OP(=S)(OC)OC)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates","No alert found","No alert found","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates","No alert found","No alert found"]
["110-00-9","furan","C1C=COC=1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","Michael addition|Michael addition >> P450 Mediated Activation of Heterocyclic Ring Systems|Michael addition >> P450 Mediated Activation of Heterocyclic Ring Systems >> Furans","No alert found","No alert found","No alert found","No alert found"]
["98-01-1","2-furaldehyde;furfural;2-furancarboxaldehyde;fufural;furan-2-aldehyde","C1(C=O)=CC=CO1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 97","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","Michael addition|Michael addition >> P450 Mediated Activation of Heterocyclic Ring Systems|Michael addition >> P450 Mediated Activation of Heterocyclic Ring Systems >> Furans","Simple aldehyde (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Simple aldehyde","H-acceptor-path3-H-acceptor|Simple aldehyde"]
["77-06-5","gibberellic acid;(3s,3as,4s,4as,6s,8ar,8br,11s)-6,11-dihydroxy-3-methyl-12-methylene-2-oxo-4a,6-ethano-3,8b-prop-1-enoperhydroindeno[1,2-b]furan-4-carboxylic acid;gibb-3-ene-1,10-dicarboxylic acid, 2,4a,7-trihydroxy-1-methyl-8-methylene-, 1,4a-lactone, (1?,2?,4a?,4b?,10?)-;gibberellin (ga);gibb-3-ene-1,10-dicarboxylic acid, 2,4a,7-trihydroxy-1-methyl-8-methylene-, 1,4a-lactone, (1.alpha.,2.beta.,4a.alpha.,4b.beta.,10.beta.)-;gibb-3-ene-1,10-dicarboxylic acid, 2,4a,7-trihydroxy-1-methyl-8-methylene-, 1,4a-lactone, (1а,2 ,4aа,4b ,10 )-;gibberellin a3;(1s,2s,4ar,4br,7s,9as,10s,10ar)-2,7-dihydroxy-1-methyl-8-methylene-13-oxo-1,2,4b,5,6,7,8,9,10,10a-decahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid;(1 alpha,2 beta,4a alpha,4b beta,10 beta)-2,4a,7-trihydroxy-1-methyl-8-methylenegibb-3-ene-1,10-dicarboxylic acid, 1,4a-lactone;gibberellic;(3s,3as,4s,4as,6s,8ar,8br,11s)-6,11-dihydroxy-3-methyl-12-methylene-2-oxo-4a,6-ethano-3,8b-prop-1-enoperhydroindeno(1,2-b)furan-4-carboxylic acid;gibberellin a<sub>3</sub>","C1(=O)C2(C)C3C(C4C5(C3C(=O)O)CC(=C)C(O)(CC4)C5)(C=CC2O)O1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","Michael addition|Michael addition >> alpha, beta-unsaturated carabonyl compounds|Michael addition >> alpha, beta-unsaturated carabonyl compounds >> Four- and Five-Membered Lactones|SN2|SN2 >> Ring opening SN2 reaction|SN2 >> Ring opening SN2 reaction >> Four- and Five-Membered Lactones","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor|Oxolane"]
["126-07-8","griseofulvin;spiro[benzofuran-2(3h),1’-[2]cyclohexene]-3,4’-dione, 7-chloro-2’,4,6-trimethoxy-6’-methyl-, (1’s-trans)-;(2s,6'r)-7-chloro-2',4,6-trimethoxy-6'-methyl-3h,4'h-spiro[1-benzofuran-2,1'-cyclohex[2]ene]-3,4'-dione;spiro[benzofuran-2(3h),1'-[2]cyclohexene]-3,4'-dione, 7-chloro-2',4,6-trimethoxy-6'-methyl-, (1's-trans)-;spiro(benzofuran-2(3h),1'-(2)cyclohexene)-3,4'-dione, 7-chloro-2',4,6-trimethoxy-6'-methyl-, (1's-trans)-","C1(OC)C2(C(=O)c3c(c(Cl)c(OC)cc3OC)O2)C(C)CC(=O)C=1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","No strain info",null,"In Vitro mammalian cell micronucleus test","Gene mutation","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity",null,"No alert found","No alert found","alpha,beta-unsaturated carbonyls (Genotox)|Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity|Structural alerts for both genotoxic and nongenotoxic carcinogenicity","No alert found","alpha,beta-unsaturated carbonyls","1,3-dialkoxy-benzene|alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor"]
["76-44-8","heptachlor;1,4,5,6,7,8,8-heptachloro-3a,4,7,7a-tetrahydro-1h-4,7-methanoindene;4,7-methano-1h-indene, 1,4,5,6,7,8,8-heptachloro-3a,4,7,7a-tetrahydro-;1,4,5,6,7,8,8-heptachloro-3a,4,7,7a-tetrahydro-4,7-methano-1h-indene;heptachlor (cancelled in u.s.)","C12(Cl)C(Cl)(Cl)C(Cl)(C(Cl)=C1Cl)C1C(Cl)C=CC21","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation >> Vicinal Dihaloalkanes|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives","SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides","(Poly) Halogenated Cycloalkanes (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives","No alert found","No alert found"]
["76-44-8","heptachlor;1,4,5,6,7,8,8-heptachloro-3a,4,7,7a-tetrahydro-1h-4,7-methanoindene;4,7-methano-1h-indene, 1,4,5,6,7,8,8-heptachloro-3a,4,7,7a-tetrahydro-;1,4,5,6,7,8,8-heptachloro-3a,4,7,7a-tetrahydro-4,7-methano-1h-indene;heptachlor (cancelled in u.s.)","C12(Cl)C(Cl)(Cl)C(Cl)(C(Cl)=C1Cl)C1C(Cl)C=CC21","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation >> Vicinal Dihaloalkanes|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives","SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides","(Poly) Halogenated Cycloalkanes (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives","No alert found","No alert found"]
["77-47-4","perchlorocyclopentadiene;hexachlorocyclopentadiene;hexachloropentadiene;1,3-cyclopentadiene, 1,2,3,4,5,5-hexachloro-;1,2,3,4,5,5-hexachloro-1,3-cyclopentadiene;1,2,3,4,5,5-hexachlorocyclopenta-1,3-diene","C1(Cl)C(Cl)(Cl)C(Cl)=C(Cl)C=1Cl","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives","No alert found","No alert found","SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives","No alert found","No alert found"]
["67-72-1","ethane, 1,1,1,2,2,2-hexachloro-;hexachloroethane;ethane, hexachloro-;67-72-1","C(Cl)(Cl)(Cl)C(Cl)(Cl)Cl","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation >> Vicinal Dihaloalkanes|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes","No alert found","Alkyl halides (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes","No alert found","No alert found"]
["70-30-4","hexachlorophene;2,2'-methylene bis(3,4,6-trichlorophenol);2,2'-methylenebis(3,4,6-trichlorophenol);phenol, 2,2-methylenebis[3,4,6-trichloro-;phenol, 2,2’-methylenebis[3,4,6-trichloro-;phenol, 2,2'-methylenebis[3,4,6-trichloro-;phenol, 2,2'-methylenebis 3,4,6-trichloro-;phenol, 2,2'-methylenebis(3,4,6-trichloro-;2,2'dihydroxy3,3',5,5',6,6'hexachlorodiphenylmethane (hexachlorophene(inn));2,2'-methylenebis[3,4,6-trichlorophenol];hexachlorophene (nabac 25 ec);bis(2,3,5-trichloro-6-hydoroxyphenyl)methane;2,2'-methanediylbis(3,4,6-trichlorophenol);bis (2,3,5-trichloro-6-hydoroxyphenyl)methane;70-30-4","c1(Cl)c(Cl)c(Cc2c(Cl)c(Cl)cc(Cl)c2O)c(O)c(Cl)c1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["100-97-0","hexamethylenetetramine (aliphatic);hexamethylenetetramine;1,3,5,7-tetraaza-tricyclo[3.3.1.1%3,7&]decane;1,3,5,7-tetraazatricyclo[3.3.1.13,7]decane;methenamine;1,3,5,7-tetraazatricyclo 3.3.1.13,7 decane;1,3,5,7-tetraazatricycloХ3.3.1.13,7еdecane;methenamine [usan:inn];1,3,5,7-tetraazatricyclo[3.3.1.1~3,7~]decane;1,3,5,7-tetraazatricyclo[3.3.1.137]decane;1,3,5,7-tetraazatricyclo[3.3.1.1(3,7)]decane;1,3,5,7-tetraazatricyclo(3.3.1.13,7)decane","C1N2CN3CN(CN1C3)C2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","No alert found","No alert found","No alert found","No alert found"]
["58-93-5","hydrochlorothiazide;6-chloro-1,1-dioxo-1,2,3,4-tetrahydro-1$l%6&-benzo[1,2,4]thiadiazine-7-sulfonic acid amide;2h-1,2,4-benzothiadiazine-7-sulfonamide, 6-chloro-3,4-dihydro-, 1,1-dioxide;6-chloro-3,4-dihydro-2h-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide","c1(Cl)c(S(N)(=O)=O)cc2c(c1)NCNS2(=O)=O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Secondary aromatic amine","Benzenesulfonic ethers, methylation (Nongenotox)|Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["58-93-5","hydrochlorothiazide;6-chloro-1,1-dioxo-1,2,3,4-tetrahydro-1$l%6&-benzo[1,2,4]thiadiazine-7-sulfonic acid amide;2h-1,2,4-benzothiadiazine-7-sulfonamide, 6-chloro-3,4-dihydro-, 1,1-dioxide;6-chloro-3,4-dihydro-2h-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide","c1(Cl)c(S(N)(=O)=O)cc2c(c1)NCNS2(=O)=O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","No S9 info","Mutation Research 584 (2005) 1-256","No strain info",null,"In Vitro mammalian chromosome aberration test","Gene mutation","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity",null,"No alert found","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Secondary aromatic amine","Benzenesulfonic ethers, methylation (Nongenotox)|Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["51410-44-7","1'-hydroxyestragole;1-[4-(methyloxy)phenyl]prop-2-en-1-ol;benzyl alcohol, p-methoxy-alpha-vinyl-","c1(C(O)C=C)ccc(OC)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","No S9 info","Mutation Research 584 (2005) 1-256","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity",null,"No alert found","No alert found","Alkylbenzenes (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","No alert found","No alert found"]
["148-24-3","8-quinolinol;oxyquinoline [usan];8-hydroxyquinoline;quinolin-8-ol;hydroxyquinoline, 8-;hydroxy8quinolineanditssulphate,except fortheuses providedfor inno51inannex iii;148-24-3","c1(O)c2c(cccn2)ccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["78-59-1","2-cyclohexen-1-one, 3,5,5-trimethyl-;isophorone;isophorene;3,5,5-trimethylcyclohex-2-enone (isophorone);3,5,5-trimethylcyclohex-2-enone;3,5,5-trimethylcyclohex-2-en-1-one;3,5,5trimethylcyclohex2enone (isophorone);3,5,5-trimethyl-2-cyclohexene-1-one;1,5,5-trimethyl-1-cyclohexen-3-one;3,5,5-trimethyl-2-cyclohexen-1-one","C1(=O)C=C(C)CC(C)(C)C1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","No S9 info","Mutation Research 584 (2005) 1-256","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity",null,"No alert found","No alert found","alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","alpha,beta-unsaturated carbonyls","alpha,beta-unsaturated carbonyls"]
["78-59-1","2-cyclohexen-1-one, 3,5,5-trimethyl-;isophorone;isophorene;3,5,5-trimethylcyclohex-2-enone (isophorone);3,5,5-trimethylcyclohex-2-enone;3,5,5-trimethylcyclohex-2-en-1-one;3,5,5trimethylcyclohex2enone (isophorone);3,5,5-trimethyl-2-cyclohexene-1-one;1,5,5-trimethyl-1-cyclohexen-3-one;3,5,5-trimethyl-2-cyclohexen-1-one","C1(=O)C=C(C)CC(C)(C)C1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","No alert found","alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","alpha,beta-unsaturated carbonyls","alpha,beta-unsaturated carbonyls"]
["143-50-0","kepone;chlordecone;1,1a,3,3a,4,5,5,5a,5b,6-decachlorooctahydro-2h-1,3,4-(methanetriyl)cyclobuta[cd]pentalen-2-one;1,3,4-metheno-2h-cyclobuta[cd]pentalen-2-one, 1,1a,3,3a,4,5,5a,5b,6-decachlorooctahydro-;1,1a,3,3a,4,5,5,5a,5b,6-decachlorooctahydro-1,3,4-metheno-2h-cyclobuta[cd]pentalen-2-one;kepone (cancelled in u.s.);1,3,4-metheno-2h-cyclobuta(cd)pentalen-2-one, 1,1a,3,3a,4,5,5,5a,5b,6-decachlorooctahydro-","C12(Cl)C3(Cl)C4(Cl)C(Cl)(Cl)C5(Cl)C(Cl)(C(Cl)(C35Cl)C1=O)C24Cl","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","No S9 info","Mutation Research 584 (2005) 1-256","No strain info",null,"In Vitro mammalian chromosome aberration test","Gene mutation","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity",null,"SN2|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation >> Vicinal Dihaloalkanes","No alert found","(Poly) Halogenated Cycloalkanes (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","No alert found"]
["434-13-9","lithocholic acid;lithocolic acid;cholan-24-oic acid, 3-hydroxy-, (3?,5?)-;(3alpha,5beta)-3-hydroxycholan-24-oic acid;cholan-24-oic acid, 3-hydroxy-, (3-alpha,5-beta)- (9ci);(3?,5?)-form;3-hydroxycholan-24-oic acid","C12(C)C3C(C4C(C)(C(C(C)CCC(=O)O)CC4)CC3)CCC1CC(O)CC2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 97","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["434-13-9","lithocholic acid;lithocolic acid;cholan-24-oic acid, 3-hydroxy-, (3?,5?)-;(3alpha,5beta)-3-hydroxycholan-24-oic acid;cholan-24-oic acid, 3-hydroxy-, (3-alpha,5-beta)- (9ci);(3?,5?)-form;3-hydroxycholan-24-oic acid","C12(C)C3C(C4C(C)(C(C(C)CCC(=O)O)CC4)CC3)CCC1CC(O)CC2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["123-33-1","3,6-pyridazinedione, 1,2-dihydro-;1,2-dihydro-3,6-pyridazinedione;pyridazine-3,6-diol;1,2-dihydropyridazine-3,6-dione","c1(O)ccc(O)nn1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["69-65-8","d-mannitol;(2r,3r,4r,5r)-hexane-1,2,3,4,5,6-hexaol;mannitol;mannitol, d-;cordycepic acid;mannitol [usan];69-65-8;<small>d</small>-form","C(O)(C(O)C(O)C(O)CO)CO","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","N/A","YES","P&G","No","without S9",null,"TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["59-05-2","methotrexate;l-glutamic acid, n-[4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-;n-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}phenyl)carbonyl]-l-glutamic acid;methotrexate(inn);n-[4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-l-glutamic acid;methotrexate [usan:ban:inn:jan];glutamic acid, n-(p-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-, l-;59-05-2","C(=O)(c1ccc(N(C)Cc2cnc3c(c(N)nc(N)n3)n2)cc1)NC(C(=O)O)CCC(=O)O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","Primary aromatic amine,hydroxyl amine and its derived esters","H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters"]
["72-43-5","1,1'-(2,2,2-trichloroethylidene)bis[4-methoxybenzene];methoxychlor;methoxychlor, p,p'-;benzene, 1,1-(2,2,2-trichloroethylidene)bis[4-methoxy-;benzene, 1,1’-(2,2,2-trichloroethylidene)bis[4-methoxy-;1,1'-(2,2,2-trichloroethane-1,1-diyl)bis(4-methoxybenzene);benzene, 1,1'-(2,2,2-trichloroethylidene)bis[4-methoxy-;methoxychlor /potassium oleate-mis-16);methoxychlor/k-salt fatty acid mis 16 formula;1,1'-(2,2,2-trichloroethane-1,1-diyl)bis[4-(methyloxy)benzene];p,p'-methoxychlor;benzene, 1,1'-(2,2,2-trichloroethylidene)bis(4-methoxy- (9ci);72-43-5","C(Cl)(Cl)(Cl)C(c1ccc(OC)cc1)c1ccc(OC)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes","No alert found","Alkyl halides (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes","No alert found","No alert found"]
["298-81-7","8-methoxypsoralen;7h-furo[3,2-g][1]benzopyran-7-one, 9-methoxy-;methoxsalen;8-methoxypsoralen + uva;methoxypsoralen, 8-;methoxalen;9-methoxyfuro[3,2-g]chromen-7-one;7h-furoХ3,2-gеХ1еbenzopyran-7-one, 9-methoxy-;5-benzofuranacrylic acid, 6-hydroxy-7-methoxy-, .delta.-lactone;9-methoxy-7h-furo[3,2-g]chromen-7-one;furocoumarines(e.g.trioxysalen(inn),8methoxypsoralen,5methoxypsoralen) except fornormalcontentinnaturalessencesused. insunprotectionandinbronzing products,furocoumarinesshall be below1mg/kg;9-methoxy-7h-furo[3,2-g][1]benzopyran-7-one;9-(methyloxy)-7h-furo[3,2-g]chromen-7-one;7h-furo(3,2-g)(1)benzopyran-7-one, 9-methoxy-;298-81-7;xanthotoxin","c12c(c(OC)c3c(C=CC(=O)O3)c1)OC=C2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","No S9 info","Mutation Research 584 (2005) 1-256","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity",null,"Radical|Radical >> Generation of reactive oxygen species|Radical >> Generation of reactive oxygen species >> Coumarins|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Coumarins","SN2|SN2 >> P450 Mediated Epoxidation|SN2 >> P450 Mediated Epoxidation >> Coumarins","Coumarins and Furocoumarins (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Coumarins and Furocoumarins","1,3-dialkoxy-benzene|Coumarins and Furocoumarins|H-acceptor-path3-H-acceptor"]
["80-62-6","methyl methacrylate;methyl meth acrylate;2-propenoic acid, 2-methyl-, methyl ester;methacrylic acid methyl ester;methacrylic acid, methyl ester;2-methyl-2-propenoic acid, methyl ester","C(=O)(C(=C)C)OC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated esters","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["66-27-3","methyl methanesulfonate;methanesulfonic acid;methyl methane sulfonate;methyl methane sulfonate (mms);methyl methanesulphonate;methanesulfonic acid, methyl ester;methanesulfonic acid methyl ester;methylmethanesulfonate;66-27-3;me ester","COS(C)(=O)=O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Sulfonates and Sulfates","SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Sulfonates","Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid (Genotox)|Structural alert for genotoxic carcinogenicity","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Sulfonates and Sulfates","Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid","Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid|H-acceptor-path3-H-acceptor"]
["298-00-0","parathion-methyl [bsi:iso];parathion-methyl (technical);parathion-methyl (penncap-m);methyl parathion;parathion-methyl;o,o-dimethyl o-(4-nitrophenyl) phosphorothioate;phosphorothioic acid, o,o-dimethyl o-(4-nitrophenyl)ester;parathion methyl;methylparathion;phosphorothioic acid, o,o-dimethyl o-(4-nitrophenyl) ester;o,o-dimethyl o-(4-nitrophenyl) ester phosphorothioic acid;methyl parathion/epn;methyl parathion/xylene;methyl parathion penncap m;methyl parathion pencap m;o,o-dimethyl o-(4-nitrophenyl) thiophosphate;298-00-0","c1(OP(=S)(OC)OC)ccc(N(=O)=O)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro","Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates","Nitro-aromatic","Nitro-aromatic"]
["298-59-9","methylphenidate hydrochloride;2-piperidineacetic acid, ?-phenyl-, methyl ester, hydrochloride;methyl phenyl(piperidin-2-yl)acetate hydrochloride","C(=O)(C(c1ccccc1)C1CCCCN1)OC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Moderate Quality, Conflict","NO","P&G","No","with S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["298-59-9","methylphenidate hydrochloride;2-piperidineacetic acid, ?-phenyl-, methyl ester, hydrochloride;methyl phenyl(piperidin-2-yl)acetate hydrochloride","C(=O)(C(c1ccccc1)C1CCCCN1)OC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Moderate Quality, Conflict","NO","P&G","No","with S9",null,"TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["79-11-8","chloroacetic acid;monochloroacetic acid;chloro-acetic acid;acetic acid, 2-chloro-;monochloro acetic acid;acetic acid, chloro-;chloroacetic;monochloroacetic acid,;79-11-8","C(=O)(O)CCl","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups","No alert found","Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity","Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups","Aliphatic halogens","Aliphatic halogen|H-acceptor-path3-H-acceptor"]
["79-11-8","chloroacetic acid;monochloroacetic acid;chloro-acetic acid;acetic acid, 2-chloro-;monochloro acetic acid;acetic acid, chloro-;chloroacetic;monochloroacetic acid,;79-11-8","C(=O)(O)CCl","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 97","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups","No alert found","Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity","Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups","Aliphatic halogens","Aliphatic halogen|H-acceptor-path3-H-acceptor"]
["2243-62-1","1,5-naphthalenediamine;1,5-diaminonaphthalene;1,5-naphthylenediamine;naphthalene-1,5-diamine;1,5-napthalenediamine","c1(N)c2c(c(N)ccc2)ccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","Primary aromatic amine,hydroxyl amine and its derived esters","Primary aromatic amine, hydroxyl amine and its derived esters"]
["91-59-8","2-naphthylamine;2-naphthalenamine;2-amino-naphthalene;naphthalen-2-amine;1and2naphthylaminesandtheirsalts","c12c(cc(N)cc1)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","No S9 info","Mutation Research 584 (2005) 1-256","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity",null,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","Primary aromatic amine,hydroxyl amine and its derived esters","Primary aromatic amine, hydroxyl amine and its derived esters"]
["99-59-2","5-nitro-o-anisidine;5-nitro-ortho-anisidine;2-methoxy-5-nitroaniline;benzenamine, 2-methoxy-5-nitro-;o-anisidine, 5-nitro-;99-59-2","c1(OC)c(N)cc(N(=O)=O)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN1 >> Nitrenium ion formation >> Nitro Compounds","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Nitro-aromatic (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","Nitro-aromatic|Primary aromatic amine,hydroxyl amine and its derived esters","H-acceptor-path3-H-acceptor|Nitro-aromatic|Primary aromatic amine, hydroxyl amine and its derived esters"]
["99-56-9","4-nitro-o-phenylenediamine;4-nitro-benzene-1,2-diamine;4-nitro-orto-phenylenediamine;2-amino-4-nitroaniline;1,2-diamino-4-nitrobenzene;4-nitro-o-phenylenediamine 4-nitro-1,2-benzenediamine;1,2-benzenediamine, 4-nitro-;o-phenylenediamine, 4-nitro-;4-nitrobenzene-1,2-diamine","c1(N)c(N)cc(N(=O)=O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN1 >> Nitrenium ion formation >> Nitro Compounds","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Nitro-aromatic (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","Nitro-aromatic|Primary aromatic amine,hydroxyl amine and its derived esters","H-acceptor-path3-H-acceptor|Nitro-aromatic|Primary aromatic amine, hydroxyl amine and its derived esters"]
["99-55-8","2-methyl-5-nitroaniline;5-nitro-o-toluidine;5-nitro-ortho-toluidine;5-nitro-2-toluidine;5-nitro-o-toluidine [2-amino-4-nitrotoluene];nitro-o-toluidine, 5-;benzenamine, 2-methyl-5-nitro-;2-amino-4-nitrotoluene;o-toluidine, 5-nitro-;fast scarlet g base;5nitrootoluidine[1];2-methyl-5-nitrobenzenamine","c1(C)c(N)cc(N(=O)=O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN1 >> Nitrenium ion formation >> Nitro Compounds","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Nitro-aromatic (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","Nitro-aromatic|Primary aromatic amine,hydroxyl amine and its derived esters","Nitro-aromatic|Primary aromatic amine, hydroxyl amine and its derived esters"]
["98-95-3","benzene, nitro-;nitrobenzene;nitro-benzene;98-95-3","c1(N(=O)=O)ccccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro","Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Nitro-aromatic","Nitro-aromatic"]
["67-20-9","nitrofurantoin;1-[(5-nitrofurfurylidene)amino]hydantoin;2,4-imidazolidinedione, 1-[[(5-nitro-2-furanyl)methylene]amino]-;1-{[(e)-(5-nitrofuran-2-yl)methylidene]amino}imidazolidine-2,4-dione;nitrofurantoin(inn);1-[[(5-nitro-2-furanyl)methylene]amino]-2,4-imidazolidinedione;1-{[(1e)-(5-nitrofuran-2-yl)methylidene]amino}imidazolidine-2,4-dione;2,4-imidazolidenedione, 1-(((5-nitro-2-furanyl)methylene)amino)-","C1(C=NN2C(=O)NC(=O)C2)=CC=C(N(=O)=O)O1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Unsaturated heterocyclic nitro","Hydrazine (Genotox)|Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","Hydrazine|Nitro-aromatic","H-acceptor-path3-H-acceptor|Hydrazine|Nitro-aromatic"]
["924-16-3","n,n-dibutylnitrosamine;nitrosodibutylamine;n-nitrosodibutylamine;dibutylnitrosamine;1-butanamine, n-butyl-n-nitroso-;n-butyl-n-nitrosobutan-1-amine;n-butyl-n-nitroso-1-butanamine","C(CCC)N(CCCC)N=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","No S9 info","Mutation Research 584 (2005) 1-256","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2","Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","Alkyl and aryl N-nitroso groups","Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor"]
["100-75-4","piperidine;n-nitrosopiperidine;1-nitrosopiperidine;piperidine, 1-nitroso-;100-75-4;<i>n</i>-nitroso","C1CCCCN1N=O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","National Cancer Institute","No","without S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,null,"Short-Term Testing Program in the National Cancer Institute (NCI), National Institutes of Health, US Department of Health and Human Services",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2","Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","Alkyl and aryl N-nitroso groups","Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor"]
["930-55-2","pyrrolidine;n-nitrosopyrrolidine;1-nitrosopyrrolidine;pyrrolidine, 1-nitroso-;930-55-2;<i>n</i>-nitroso","C1CCCN1N=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2","Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","Alkyl and aryl N-nitroso groups","Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor"]
["1936-15-8","acid orange 10;1,3-naphthalenedisulfonic acid, 7-hydroxy-8-(phenylazo)-, disodium salt;disodium 7-hydroxy-8-[(z)-phenyldiazenyl]naphthalene-1,3-disulfonate","c1(O)c(N=Nc2ccccc2)c2c(S(=O)(=O)O)cc(S(=O)(=O)O)cc2cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality, Conflict","NO","Kirkland et al.","No","No S9 info","Mutation Research 584 (2005) 1-256","No strain info",null,"In Vitro mammalian chromosome aberration test","Gene mutation","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity",null,"No alert found","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic azo","Aromatic diazo (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Aromatic diazo","Aromatic diazo|H-acceptor-path3-H-acceptor"]
["101-80-4","4,4'-oxydianiline;4-aminophenyl ether;4,4'-diaminodiphenyl ether;4,4’-oxydianiline;benzenamine, 4,4'-oxybis-;aniline, 4,4'-oxydi-;4,4?oxydianiline(paminophenyl ether) anditssalts;4,4´-diaminodiphenylether;101-80-4","c1(Oc2ccc(N)cc2)ccc(N)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Primary aromatic amine,hydroxyl amine and its derived esters","1-phenoxy-benzene|Primary aromatic amine, hydroxyl amine and its derived esters"]
["102-77-2","n-oxydiethylene-2-benzothiazylsulfenamide;n-oxydiethylenebenzothiazole-2-sulfenamide;morpholine, 4-(2-benzothiazolylthio)-;2-(morpholinothio)benzothiazole;benzothiazole, 2-(morpholinothio)-;2-(morpholin-4-ylsulfanyl)-1,3-benzothiazole;2-(morpholin-4-ylthio)-1,3-benzothiazole","c12c(cccc1)N=C(SN1CCOCC1)S2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["76-01-7","pentachloroethane;ethane, pentachloro-;1,1,2,2,2-pentachloroethane;1,1,1,2,2-pentachloroethane;76-01-7","C(Cl)(Cl)(Cl)C(Cl)Cl","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation >> Vicinal Dihaloalkanes|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes","Acylation|Acylation >> P450 Mediated Activation to Acyl Halides|Acylation >> P450 Mediated Activation to Acyl Halides >> 1,1-Dihaloalkanes","Aliphatic halogens (Genotox)|Alkyl halides (Nongenotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes","Aliphatic halogens","Aliphatic halogen"]
["82-68-8","pentachloronitrobenzene;pcnb (pentachloronitrobenzene);quintozene;benzene, pentachloronitro-;1,2,3,4,5-pentachloro-6-nitrobenzene;pentachloronitrobenzene (pcnb);pentachloronitrobenzene/methyl mercury mix;pentachloronitrobenzene/zineb(granular form.);pentachloronitrobenzene/etridiazole(terrachlo;pentachloronitrobenzene (pcnb 2e formulation);pcnb/methyl mercury dicyandiamide mixture;pcnb [pentachloronitrobenzene];82-68-8","c1(Cl)c(Cl)c(Cl)c(Cl)c(Cl)c1N(=O)=O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","No S9 info","Mutation Research 584 (2005) 1-256","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","No alert found","No alert found","No alert found","No alert found","No alert found"]
["50-06-6","phenobarbital;5-ethyl-5-phenyl-pyrimidine-2,4,6-trione;2,4,6(1h,3h,5h)-pyrimidinetrione, 5-ethyl-5-phenyl-;phenobarbital\"\"\";5-ethyl-5-phenylbarbituric acid;phenobarbital [usan:inn:jan];5-ethyl-5-phenylpyrimidine-2,4,6(1h,3h,5h)-trione;5-ethyl-5-phenyl-2,4,6(1h,3h,5h)-pyrimidinetrione;phenobarbital\"","C1(=O)C(c2ccccc2)(CC)C(=O)NC(=O)N1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["108-95-2","phenol;phenol [jan];phenol, pure;108-95-2","c1(O)ccccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["92-84-2","10h-phenothiazine;phenothiazine;phenothiazine(inn)anditscompounds","c12c(cccc1)Nc1c(cccc1)S2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["2198-59-6","1,4-benzenediamine, n-phenyl-, monohydrochloride;p-phenylenediamine, n-phenyl-, hydrochloride\"\"\";n-phenylbenzene-1,4-diamine hydrochloride","c1(N)ccc(Nc2ccccc2)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality, Conflict","NO","Kirkland et al.","No","No S9 info","Mutation Research 584 (2005) 1-256","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity",null,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","Primary aromatic amine,hydroxyl amine and its derived esters","Primary aromatic amine, hydroxyl amine and its derived esters"]
["842-07-9","c.i. solvent yellow 14;1-phenylazo-2-naphthol;1-(phenylazo)-2-naphthalenol;c.i. solvent yellow;solvent yellow 14;2-naphthalenol, 1-(phenylazo)-;sudan yellow;1-[(e)-phenyldiazenyl]-2-naphthol;2-naphthalenol, 1-(2-phenyldiazenyl)-","c1(O)c(N=Nc2ccccc2)c2c(cccc2)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","No S9 info","Mutation Research 584 (2005) 1-256","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity",null,"No alert found","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic azo","Aromatic diazo (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Aromatic diazo","Aromatic diazo|H-acceptor-path3-H-acceptor"]
["108-45-2","1,3-benzenediamine;1,3-phenylenediamine (3-aminoaniline);m-phenylenediamine;benzene-1,3-diamine;phenylenediamine, m-;3-amino-aniline;3-phenylenediamine;mphenylenediamine anditssalts;m-phenylenediamin","c1(N)cc(N)ccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 97","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","Primary aromatic amine,hydroxyl amine and its derived esters","Primary aromatic amine, hydroxyl amine and its derived esters"]
["61-76-7","phenylephrine.hcl;benzenemethanol, 3-hydroxy-?-[(methylamino)methyl]-, hydrochloride, (r)-;3-[(1r)-1-hydroxy-2-(methylamino)ethyl]phenol hydrochloride","c1(C(O)CNC)cc(O)ccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality, Conflict","NO","Kirkland et al.","No","No S9 info","Mutation Research 584 (2005) 1-256","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity",null,"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["90-43-7","2-phenylphenol;phenyl phenol, 2-;o-phenylphenol;biphenyl-2-ol;[1,1'-biphenyl]-2-ol;phenylphenol;1,1'-biphenyl-2-ol;1,1'-biphenyl -2-ol;2-biphenylol;Õ1,1'-biphenylå-2-ol\"\";Õ1,1'-biphenylå-2-ol\";2-hydroxybiphenyl;[1,1’-biphenyl]-2-ol;ortho-phenylphenol;Х1,1'-biphenylе-2-ol;ortho-phenyl phenol;sodium 2-phenylphenate;2-hydroxy biphenyl;Х1,1'-biphenylе-2-ol\";(1,1'-biphenyl)-2-ol","c1(-c2c(O)cccc2)ccccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","National Cancer Institute","No","without S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,null,"Short-Term Testing Program in the National Cancer Institute (NCI), National Institutes of Health, US Department of Health and Human Services",null,"No alert found","No alert found","o-phenylphenol (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","No alert found"]
["120-62-7","piperonyl sulfoxide;1-(3,4-methylenedioxyphenyl)isopropyl octyl sulphoxide;5-[2-(octylsulfinyl)propan-2-yl]-1,3-benzodioxole;1,2-(methylenedioxy)-4-(2-octylsulfinyl)propyl)benzene;5-[2-(octylsulfinyl)propyl]-1,3-benzodioxole;benzene, 1,2-(methylenedioxy)-4-(2-(octylsulfinyl)propyl)-;120-62-7","c12c(cc(CC(C)S(=O)CCCCCCCC)cc1)OCO2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","No S9 info","Mutation Research 584 (2005) 1-256","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity",null,"No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Methylenedioxyphenyl","1,3-Benzodioxoles (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["57-66-9","probenecid;benzoic acid, 4-[(dipropylamino)sulfonyl]-;4-(dipropylsulfamoyl)benzoic acid;probenecid(inn);4-[(dipropylamino)sulfonyl]benzoic acid;benzoic acid, 4-((dipropylamino)sulfonyl)-;57-66-9","C(=O)(O)c1ccc(S(=O)(=O)N(CCC)CCC)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","No S9 info","Mutation Research 584 (2005) 1-256","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity",null,"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["318-98-9","propranolol hydrochloride;2-propanol, 1-[(1-methylethyl)amino]-3-(1-naphthalenyloxy)-, hydrochloride;1-[(1-methylethyl)amino]-3-(naphthalen-1-yloxy)propan-2-ol hydrochloride","c1(OCC(O)CNC(C)C)c2c(cccc2)ccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","N/A","YES","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["115-07-1","1-propene;propylene;propene;prop-1-ene;propene, pure","C(=C)C","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["98-96-4","pyrazinamide;2-pyrazinecarboxamide;pyrazinecarboxamide;pyrazine-2-carboxamide","C(N)(=O)c1cnccn1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["117-39-5","quercetin;2-(3,4-dihydroxy-phenyl)-3,5,7-trihydroxy-chromen-4-one;3,3',4',5,7-pentahydroxyflavone;4h-1-benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-;2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4h-chromen-4-one;2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4h-1-benzopyran-4-one;117-39-5","C1(O)C(=O)c2c(O)cc(O)cc2OC=1c1cc(O)c(O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones","Quercetin type flavonoids (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["3567-69-9","acid red 14;1-naphthalenesulfonic acid, 4-hydroxy-3-[(4-sulfo-1-naphthalenyl)azo]-, disodium salt;disodium 4-hydroxy-3-[(e)-(4-sulfonato-1-naphthyl)diazenyl]naphthalene-1-sulfonate","c1(S(=O)(=O)O)c2c(c(O)c(N=Nc3c4c(c(S(=O)(=O)O)cc3)cccc4)c1)cccc2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality, Conflict","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["3567-69-9","acid red 14;1-naphthalenesulfonic acid, 4-hydroxy-3-[(4-sulfo-1-naphthalenyl)azo]-, disodium salt;disodium 4-hydroxy-3-[(e)-(4-sulfonato-1-naphthyl)diazenyl]naphthalene-1-sulfonate","c1(S(=O)(=O)O)c2c(c(O)c(N=Nc3c4c(c(S(=O)(=O)O)cc3)cccc4)c1)cccc2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality, Conflict","NO","P&G","No","with S9",null,"TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["50-55-5","reserpine;yohimban-16-carboxylic acid, 11,17-dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]-, methyl ester, (3.beta.,16.beta.,17.alpha.,18.beta.,20.alpha.)-;methyl (3beta,16beta,17alpha,18beta,20alpha)-11,17-dimethoxy-18-{[(3,4,5-trimethoxyphenyl)carbonyl]oxy}yohimban-16-carboxylate;3-beta,20-alpha-yohimban-16-beta-carboxylic acid, 18-beta-hydroxy-11,17-alpha-dimethoxy-, methyl ester, 3,4,5-trimethoxybenzoate (ester);(-)-form","C12c3c(cc(OC)cc3)NC=1C1CC3C(C(=O)OC)C(OC)C(OC(=O)c4cc(OC)c(OC)c(OC)c4)CC3CN1CC2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 97","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones|SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","No alert found","No alert found","No alert found","1,3-dialkoxy-benzene|H-acceptor-path3-H-acceptor"]
["108-46-3","resorcinol  (1,3-dihydroxybenzene);resorcinol;benzene-1,3-diol;1,3-benzenediol;resorcin;1,3-dihydroxybenzene","c1(O)cc(O)ccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["569-61-9","basic red 9;benzenamine, 4-[(4-aminophenyl)(4-imino-2,5-cyclohexadien-1-ylidene)methyl]-, monohydrochloride;4,4'-[(4-iminocyclohexa-2,5-dien-1-ylidene)methanediyl]dianiline hydrochloride","c1(C(c2ccc(N)cc2)=C2C=CC(=N)C=C2)ccc(N)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality, Conflict","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Specific Imine and Thione Derivatives|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN2|SN2 >> Diazonium ion formation|SN2 >> Diazonium ion formation >> Specific Imine and Thione Derivatives","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Specific Imine and Thione Derivatives|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN2|SN2 >> Diazonium ion formation|SN2 >> Diazonium ion formation >> Specific Imine and Thione Derivatives","Primary aromatic amine,hydroxyl amine and its derived esters","Primary aromatic amine, hydroxyl amine and its derived esters"]
["83-79-4","rotenone;[1]benzopyrano[3,4-b]furo[2,3-h][1]benzopyran-6(6ah)-one,1,2,12,12a-tetrahydro-8,9-dimethoxy-2-(1-methylethenyl)-, [2r-(2à,6aà,12aà)]- (rotenone);(2r,6as,12as)-1,2,6,6a,12,12a-hexahydro-2-isopropenyl-8,9-dimethoxychromeno[3,4-b]furo[2,3-h]chromen-6-one;[1]benzopyrano[3,4-b]furo[2,3-h][1]benzopyran-6(6ah)-one, 1,2,12,12a-tetrahydro-8,9-dimethoxy-2-(1-methylethenyl)-, [2r-(2?,6a?,12a?)]-;(2r,6as,12as)-8,9-dimethoxy-2-(prop-1-en-2-yl)-1,2,12,12a-tetrahydrochromeno[3,4-b]furo[2,3-h]chromen-6(6ah)-one;[1]benzopyrano[3,4-b]furo[2,3-h][1]benzopyran-6(6ah)-one, 1,2,12,12a-tetrahydro-8,9-dimethoxy-2-(1-methylethenyl)-, [2r-(2.alpha.,6a.alpha.,12a.alpha.)]-;[2r-(2-alpha, 6a-alpha, 12a-alpha)]-1,2,12,12a-tetrahydro-8,9-dimethoxy-2-(1-methylethenyl)-[1]-benzopyrano[3,4-b]furo[2,3-h][1]benzopyran-6(6ah)-one;rotenone and other cube resins- mixture;rotenone/n-octyl sulfoxide mixture;rotenone/n-octyl sulfoxide/other cube extract;rotenone and other cube resins (noxfish toxic;rotenone and other cube resins (security fish;rotenone and other cube resins (pearsons 5% r;rotenone and other cube resins (stephenson's;rotenone and other cube resins (prentiss cube;rotenone and other cube resins (millers rotif;rotenone and other cube resins (prentox cube;rotenone and other cube resins (el sol cube r;rotenone and other cube resins (unico rotenon;(1)benzopyrano(3,4-b)furo(2,3-h)(1)benzopyran-6(6ah)-one, 1,2,12,12a-tetrahydro-8,9-dimethoxy-2-(1-methylethenyl)-, (2r-(2alpha,6aalpha,12aalpha))-","C1(=O)c2c(c3c(cc2)OC(C(=C)C)C3)OC2C1c1c(cc(OC)c(OC)c1)OC2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","1,3-dialkoxy-benzene|H-acceptor-path3-H-acceptor"]
["94-59-7","safrole;5-allyl-1,3-benzodioxole;1,3-benzodioxole, 5-(2-propenyl)-;5-(2-propenyl)-1,3-benzodioxole;benzene, 4-allyl-1,2-(methylenedioxy)-;safroleexceptfornormalcontentinthe naturalessencesusedandprovidedthe concentrationdoesnotexceed: 100 ppminthefinishedproduct,50 ppminproductsfordentalandoralhygiene,andprovidedthatsafroleisnot presentintoothpastesintendedspecifically forchildren;94-59-7","c12c(cc(CC=C)cc1)OCO2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","No strain info",null,"In Vitro mammalian cell micronucleus test","Gene mutation","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity",null,"No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Methylenedioxyphenyl|SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Allyl benzenes","1,3-Benzodioxoles (Nongenotox)|Alkylbenzenes (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["100-42-5","styrene;benzene, ethenyl-;ethenylbenzene;styrene monomer;100-42-5","c1(C=C)ccccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["100-42-5","styrene;benzene, ethenyl-;ethenylbenzene;styrene monomer;100-42-5","c1(C=C)ccccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","No S9 info","Mutation Research 584 (2005) 1-256","No strain info",null,"In Vitro mammalian chromosome aberration test","Gene mutation","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity",null,"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["108-30-5","succinic anhydride;2,5-furandione, dihydro-;dihydrofuran-2,5-dione;dihydro-2,5-furandione;108-30-5","C1(=O)CCC(=O)O1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","Michael addition|Michael addition >> alpha, beta-unsaturated carabonyl compounds|Michael addition >> alpha, beta-unsaturated carabonyl compounds >> Four- and Five-Membered Lactones|SN2|SN2 >> Ring opening SN2 reaction|SN2 >> Ring opening SN2 reaction >> Four- and Five-Membered Lactones","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor|Oxolane"]
["108-30-5","succinic anhydride;2,5-furandione, dihydro-;dihydrofuran-2,5-dione;dihydro-2,5-furandione;108-30-5","C1(=O)CCC(=O)O1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"Michael addition|Michael addition >> alpha, beta-unsaturated carabonyl compounds|Michael addition >> alpha, beta-unsaturated carabonyl compounds >> Four- and Five-Membered Lactones|SN2|SN2 >> Ring opening SN2 reaction|SN2 >> Ring opening SN2 reaction >> Four- and Five-Membered Lactones","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor|Oxolane"]
["57-68-1","4-amino-n-(4,6-dimethyl-pyrimidin-2-yl)-benzenesulfonamide;sulfamethazine;sulfadimidine;benzenesulfonamide, 4-amino-n-(4,6-dimethyl-2-pyrimidinyl)-;4-amino-n-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide;4-amino-n-(4,6-dimethyl-2-pyrimidinyl)benzenesulfonamide","c1(C)cc(C)nc(NS(=O)(=O)c2ccc(N)cc2)n1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","No S9 info","Mutation Research 584 (2005) 1-256","No strain info",null,"In Vitro mammalian chromosome aberration test","Gene mutation","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity",null,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Benzenesulfonic ethers, methylation (Nongenotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","Primary aromatic amine,hydroxyl amine and its derived esters","H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters"]
["127-69-5","sulfisoxazole;4-amino-n-(3,4-dimethyl-isoxazol-5-yl)-benzenesulfonamide;sulfafurazole;benzenesulfonamide, 4-amino-n-(3,4-dimethyl-5-isoxazolyl)-;4-amino-n-(3,4-dimethylisoxazol-5-yl)benzenesulfonamide;127-69-5","C1(C)C(C)=C(NS(=O)(=O)c2ccc(N)cc2)ON=1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Benzenesulfonic ethers, methylation (Nongenotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","Primary aromatic amine,hydroxyl amine and its derived esters","H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters"]
["2438-88-2","2,3,5,6-tetrachloro-4-nitroanisole;2,3,5,6-tetrachloro-4-nitroaniline;4-nitro-2,3,5,6-tetrachloroanisole;1,2,4,5-tetrachloro-3-methoxy-6-nitrobenzene;benzene, 1,2,4,5-tetrachloro-3-methoxy-6-nitro- (9ci);2438-88-2","c1(Cl)c(Cl)c(OC)c(Cl)c(Cl)c1N(=O)=O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","No alert found","No alert found","No alert found","No alert found","No alert found"]
["630-20-6","1,1,1,2-tetrachloroethane;tetrachloroethane, 1,1,1,2-;ethane, 1,1,1,2-tetrachloro-;630-20-6","C(Cl)(Cl)(Cl)CCl","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation >> Vicinal Dihaloalkanes|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes","No alert found","Aliphatic halogens (Genotox)|Alkyl halides (Nongenotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes","Aliphatic halogens","Aliphatic halogen"]
["97-77-8","disulfiram [ban:inn:jan];disulfiram;tetraethylthiuram disulfide;tetraethylthiuramdisulfide disulfiram;tetraethylthiourea disulfide;bis(diethylthiocarbamoyl)disulfide;thioperoxydicarbonic diamide ([(h2n)c(s)]2s2), tetraethyl-;thioperoxydicarbonic diamide, tetraethyl-;disulfide, bis(diethylthiocarbamoyl);thioperoxydicarbonic diamide, (Х(h2n)c(s)е2s2), tetraethyl-;1,1',1'',1'''-[disulfanediylbis(carbonothioylnitrilo)]tetraethane;disulfiram(inn);thiram(inn);n,n,n',n'-tetraethylthioperoxydicarbonic diamide ([(h2n)c(s)]2s2);1,1',1'',1'''-[dithiobis(carbonothioylnitrilo)]tetraethane;thioperoxydicarbonic diamide (((h2n)c(s))2s2), tetraethyl-;97-77-8","C(=S)(N(CC)CC)SSC(=S)N(CC)CC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","Structural alert for nongenotoxic carcinogenicity|Thiocarbonyl (Nongenotox)","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["96-69-5","phenol, 4,4'-thiobis[2-(1,1-dimethylethyl)-5-methyl-;4,4'-thiobis(3-methyl-6-tert-butylphenol);4,4'-thiobis(6-t-butyl-m-cresol);4,4'-thiobis(6-tert-butyl-m-cresol);4,4'-thiobis(6-tert-butyl-3-cresol);6,6'-di-tert-butyl-4,4'-thiodi-m-cresol;phenol, 4,4’-thiobis[2-(1,1-dimethylethyl)-5-methyl-;phenol, 4,4'-thiobis 2-(1,1-dimethylethyl)-5-methyl-;m-cresol, 4,4'-thiobisХ6-tert-butyl-;phenol, 4,4'-thiobisХ2-(1,1-dimethylethyl)-5-methyl-;4,4'-sulfanediylbis(2-tert-butyl-5-methylphenol);4,4''-thiobis (6-t-butyl-m-cresol);4,4'-thiobis[2-(1,1-dimethylethyl)-5-methylphenol];4,4'-thiobis (6-t-butyl-m-cresol);phenol, 4,4'-thiobis(2-(1,1-dimethylethyl)-5-methyl-;96-69-5","C(C)(C)(C)c1c(O)cc(C)c(Sc2c(C)cc(O)c(C(C)(C)C)c2)c1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["139-65-1","4,4'-thiodianiline;4,4'-thiobisbenzenamine;benzenamine, 4,4'-thiobis-;aniline, 4,4'-thiodi-;4,4'-sulfanediyldianiline;4,4?thiodianilineanditssalts;4,4'-diaminodiphenylsulfide;139-65-1","c1(Sc2ccc(N)cc2)ccc(N)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","No S9 info","Mutation Research 584 (2005) 1-256","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity",null,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Primary aromatic amine,hydroxyl amine and its derived esters","Primary aromatic amine, hydroxyl amine and its derived esters"]
["64-77-7","tolbutamide;benzenesulfonamide, n-[(butylamino)carbonyl]-4-methyl-;benzenesulfonamide, n- (butylamino)carbonyl -4-methyl-;urea, 1-butyl-3-(p-tolylsulfonyl)-;benzenesulfonamide, n-((butylamino)carbonyl)-4-methyl-;n-(butylcarbamoyl)-4-methylbenzenesulfonamide;tolbutamide(inn);n-[(butylamino)carbonyl]-4-methylbenzenesulfonamide;64-77-7","c1(S(=O)(=O)NC(=O)NCCCC)ccc(C)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 97","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives","Acylation|Acylation >> P450 Mediated Activation to Isocyanates or Isothiocyanates|Acylation >> P450 Mediated Activation to Isocyanates or Isothiocyanates >> Sulfonylureas","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["622-51-5","p-tolylurea;p-tolyl-urea;1-(4-methylphenyl)urea;n-4-tolylurea;urea, (4-methylphenyl)- (9ci)","c1(NC(N)=O)ccc(C)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic phenylureas","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["622-51-5","p-tolylurea;p-tolyl-urea;1-(4-methylphenyl)urea;n-4-tolylurea;urea, (4-methylphenyl)- (9ci)","c1(NC(N)=O)ccc(C)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic phenylureas","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["79-00-5","ethane, 1,1,2-trichloro-;1,1,2-trichloroethane;trichloroethane, 1,1,2;trichloroethane, 1,1,2-;1,1,2trichloroethane;79-00-5","C(Cl)(Cl)CCl","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 97","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation >> Vicinal Dihaloalkanes|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes","Acylation|Acylation >> P450 Mediated Activation to Acyl Halides|Acylation >> P450 Mediated Activation to Acyl Halides >> 1,1-Dihaloalkanes","Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes","Aliphatic halogens","Aliphatic halogen"]
["75-69-4","methane, trichlorofluoro-;trichlorofluoromethane;fluorotrichloromethane;trichloro(fluoro)methane","C(F)(Cl)(Cl)Cl","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 97","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["133-07-3","folpet;n-(trichloromethylthio)phthalimide;1h-isoindole-1,3(2h)-dione, 2-[(trichloromethyl)thio]-;1h-isoindole-1,3(2h)-dione, 2- (trichloromethyl)thio -;phthalimide, n-Х(trichloromethyl)thioе-;1h-isoindole-1,3(2h)-dione, 2-Х(trichloromethyl)thioе-;2-[(trichloromethyl)sulfanyl]-1h-isoindole-1,3(2h)-dione;n(trichloromethylthio)phthalimide(folpetiso);2-[(trichloromethyl)thio]-1h-isoindole-1,3(2h)dione;folpet ortho phaltan 50 wp;folpet phthalimide (degradate);folpet (folpan 80wdg formulation);folpet (folpan 80 wdg formulation);2-[(trichloromethyl)thio]-1h-isoindole-1,3(2h)-dione;1h-isoindole-1,3(2h)-dione, 2-((trichloromethyl)thio)-;133-07-3","C1(=O)c2c(C(=O)N1SC(Cl)(Cl)Cl)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Heteroatom","No alert found","Alkyl halides (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Heteroatom","No alert found","H-acceptor-path3-H-acceptor"]
["96-18-4","propane, 1,2,3-trichloro-;1,2,3-trichloropropane;trichloropropane;1,2,3trichloropropane;1,2,3-trichloropropane,;96-18-4","C(Cl)(CCl)CCl","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","No S9 info","Mutation Research 584 (2005) 1-256","No strain info",null,"In Vitro mammalian chromosome aberration test","Gene mutation","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity",null,"SN2|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation >> Vicinal Dihaloalkanes","SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> 1,2-Dihaloalkanes","Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Aliphatic halogens","Aliphatic halogen"]
["102-71-6","ethanol, 2,2',2''-nitrilotris-;triethanolamine;triethanol amine;2-[bis-(2-hydroxy-ethyl)-amino]-ethanol;ethanol, 2,2 ,2  -nitrilotris-;2,2',2''-nitrilotriethanol;ethanol, 2,2’,2’’-nitrilotris-;ethanol, 2,2',2''-nitrilotri-;trolamine;102-71-6","C(O)CN(CCO)CCO","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["78-42-2","tris(2-ethylhexyl)phosphate;tris(2-ethylhexyl) phosphate;phosphoric acid, tris(2-ethylhexyl) ester;tris(2-ethylhexyl)phosphate (tehp);tris (2-ethylhexyl) phosphate;tris(2-ethylhexyl)ester phosphoric acid;78-42-2","C(CCCC)(CC)COP(=O)(OCC(CCCC)CC)OCC(CCCC)CC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates","No alert found","Structural alert for nongenotoxic carcinogenicity|Substituted n-alkylcarboxylic acids (Nongenotox)","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates","No alert found","H-acceptor-path3-H-acceptor"]
["73-22-3","l-tryptophan;(s)-2-amino-3-(1h-indol-3-yl)-propionic acid;l-(-)-tryptophane;tryptophan;tryptophane;tryptophan [usan:inn];tryptophan (van);(<i>s</i>)-form","C1(CC(N)C(=O)O)c2c(cccc2)NC=1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","No S9 info","Mutation Research 584 (2005) 1-256","No strain info",null,"In Vitro mammalian chromosome aberration test","Gene mutation","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity",null,"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["51-79-6","carbamic acid, ethyl ester;urethane;ethyl carbamate (urethane);o-ethyl carbamate (urethane);urethane [ethyl carbamate];ethyl carbamate;urethane (ethyl carbamate);51-79-6","C(N)(=O)OCC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","No alert found","Alkyl carbamate and thiocarbamate (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Alkyl carbamate and thiocarbamate","Alkyl carbamate and thiocarbamate|H-acceptor-path3-H-acceptor"]
["108-05-4","vinyl acetate;acetic acid ethenyl ester;acetic acid vinyl ester;acetic acid, ethenyl ester;vinylacetate;108-05-4","C(C)(=O)OC=C","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","National Cancer Institute","No","without S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,null,"Short-Term Testing Program in the National Cancer Institute (NCI), National Institutes of Health, US Department of Health and Human Services",null,"Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Specific Acetate Esters|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Specific Acetate Esters|SN2|SN2 >> Acylating agents|SN2 >> Acylating agents >> Specific Acetate Esters|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Specific Acetate Esters","No alert found","alpha,beta-unsaturated aliphatic alkoxy group (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","alpha,beta-unsaturated aliphatic alkoxy group","alpha,beta-unsaturated aliphatic alkoxy group|H-acceptor-path3-H-acceptor"]
["75-35-4","1,1-dichloroethene;1,1-dichloroethylene,;dichloroethylene,1,1-;vinylidene chloride;ethene, 1,1-dichloro-;1,1-dichloroethylene;dichloroethylene, 1,1-;vinylidene dichloride;ethylene, 1,1-dichloro-;dichloroethylenes(acetylenechlorides) e.g.vinylidene chloride(1,1dichloroethylene);1,1-dichloroethene (9ci)","C(=C)(Cl)Cl","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["6358-85-6","butanamide, 2,2'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(2,1-diazenediyl)]bis[3-oxo-n-phenyl-;c.i. pigment yellow 12;pigment yellow-12;van;pigment yellow 12;butanamide, 2,2'- (3,3'-dichloro 1,1'-biphenyl -4,4'-diyl)bis(azo) bis 3-oxo-n-phenyl-;2,2'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[3-oxo-n-phenylbutyramide];butanamide, 2,2’-[(3,3’-dichloro[1,1’-biphenyl]-4,4’-diyl)bis(azo)]bis[3-oxo-n-phenyl-;butanamide, 2,2'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[3-oxo-n-phenyl-;butanamide, 2,2'-Х(3,3'-dichloroХ1,1'-biphenylе-4,4'-diyl)bis(azo)еbisХ3-oxo-n-phenyl-;acetoacetanilide, 2,2''-(3,3'-dichloro-4,4'-biphenylylenebisazo)bis-;2,2'-[(3,3'-dichlorobiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis(3-oxo-n-phenylbutanamide);2,2'-[(3,3'-dichlorobiphenyl-4,4'-diyl)di(e)diazene-2,1-diyl]bis(3-oxo-n-phenylbutanamide)","c1(-c2cc(Cl)c(N=NC(C(C)=O)C(=O)Nc3ccccc3)cc2)cc(Cl)c(N=NC(C(C)=O)C(=O)Nc2ccccc2)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"No alert found","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic azo","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["2783-94-0","fd&c yellow 6;2-naphthalenesulfonic acid, 6-hydroxy-5-[(4-sulfophenyl)azo]-, disodium salt;disodium 6-hydroxy-5-[(z)-(4-sulfonatophenyl)diazenyl]naphthalene-2-sulfonate","c1(O)c(N=Nc2ccc(S(=O)(=O)O)cc2)c2c(cc(S(=O)(=O)O)cc2)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality, Conflict","NO","P&G","No","with S9",null,"TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["2783-94-0","fd&c yellow 6;2-naphthalenesulfonic acid, 6-hydroxy-5-[(4-sulfophenyl)azo]-, disodium salt;disodium 6-hydroxy-5-[(z)-(4-sulfonatophenyl)diazenyl]naphthalene-2-sulfonate","c1(O)c(N=Nc2ccc(S(=O)(=O)O)cc2)c2c(cc(S(=O)(=O)O)cc2)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality, Conflict","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["75-07-0","ethanal;acetaldehyde;75-07-0","C(C)=O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 97","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","Schiff base formers|Schiff base formers >> Direct Acting Schiff Base Formers|Schiff base formers >> Direct Acting Schiff Base Formers >> Mono aldehydes","Simple aldehyde (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Simple aldehyde","Simple aldehyde"]
["107-29-9","acetaldoxime;acetaldehyde oxime;acetaldehyde, oxime;(1z)-n-hydroxyethanimine;(1e)-acetaldehyde oxime","C(C)=NO","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","National Cancer Institute","No","with S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,null,"Short-Term Testing Program in the National Cancer Institute (NCI), National Institutes of Health, US Department of Health and Human Services","Source of metabolic system - rat","SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> N-hydroxylamines","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["50-76-0","actinomycin d;dactinomycin;2-amino-4,6-dimethyl-3-oxo-n,n'-bis[(6s,9r,10s,13r,18as)-2,5,9-trimethyl-1,4,7,11,14-pentaoxo-6,13-di(propan-2-yl)hexadecahydro-1h-pyrrolo[2,1-i][1,4,7,10,13]oxatetraazacyclohexadecin-10-yl]-3h-phenox|azine-1,9-dicarboxamide;2-amino-4,6-dimethyl-3-oxo-n,n'-bis[(6s,9r,10s,13r,18as)-2,5,9-trimethyl-6,13-bis(1-methylethyl)-1,4,7,11,14-pentaoxohexadecahydro-1h-pyrrolo[2,1-i][1,4,7,10,13]oxatetraazacyclohexadecin-10-yl]-3h-phenoxazine-1,9-dicarboxamide;50-76-0","C(=O)(C1C2C(=C(C)C(=O)C=1N)Oc1c(c(C(=O)NC3C(=O)NC(C(C)C)C(=O)N4C(C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC3C)CCC4)ccc1C)N=2)NC1C(=O)NC(C(C)C)C(=O)N2C(C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC1C)CCC2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","No strain info",null,"In Vitro mammalian cell micronucleus test","Gene mutation","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity",null,"Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinoneimine Derivatives|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|Radical >> ROS formation after GSH depletion >> Quinoneimine Derivatives|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","No alert found","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinoneimine Derivatives|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Quinoneimine Derivatives","No alert found","H-acceptor-path3-H-acceptor"]
["25843-45-2","azoxymethane;[(z)-methyl-nno-azoxy]methane;diazene, dimethyl-, 1-oxide (9ci)","CN=N(C)=O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","No alert found","Aliphatic azo and azoxy (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Aliphatic azo and azoxy","Aliphatic azo and azoxy"]
["110-97-4","diisopropanolamine;1-(2-hydroxy-propylamino)-propan-2-ol;2-propanol, 1,1'-iminobis-;bis(2-hydroxypropyl)amine;1,1'-iminodipropan-2-ol;2-propanol, 1,1’-iminobis-;1,1'-iminobis-2-propanol;2-propanol, 1,1'-iminodi-;110-97-4","C(C)(O)CNCC(C)O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 97","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["3068-88-0","beta-butyrolactone;4-methyl-2-oxetanone;4-methyloxetan-2-one;2-oxetanone, 4-methyl-;(1)-4-methyloxetan-2-one","C1(=O)CC(C)O1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"Michael addition|Michael addition >> alpha, beta-unsaturated carabonyl compounds|Michael addition >> alpha, beta-unsaturated carabonyl compounds >> Four- and Five-Membered Lactones|SN2|SN2 >> Ring opening SN2 reaction|SN2 >> Ring opening SN2 reaction >> Four- and Five-Membered Lactones","SN2|SN2 >> Ring opening SN2 Reaction|SN2 >> Ring opening SN2 Reaction >> Lactones","Propiolactones or propiosultones (Genotox)|Structural alert for genotoxic carcinogenicity","Michael addition|Michael addition >> alpha, beta-unsaturated carabonyl compounds|Michael addition >> alpha, beta-unsaturated carabonyl compounds >> Four- and Five-Membered Lactones|SN2|SN2 >> Ring opening SN2 reaction|SN2 >> Ring opening SN2 reaction >> Four- and Five-Membered Lactones","Propiolactones or propiosultones","H-acceptor-path3-H-acceptor|Propiolactones or propiosultones"]
["67-48-1","choline chloride;chloride;ethanaminium, 2-hydroxy-n,n,n-trimethyl-, chloride (1:1);choline;ethanaminium, 2-hydroxy-n,n,n-trimethyl-, chloride;choline, chloride;2-hydroxy-n,n,n-trimethylethanaminium chloride;cholinesaltsandtheiresters,e.g.choline chloride(inn);2-hydroxy-n,n,n-trimethylethanaminium, chloride","C(O)CN{+}(C)(C)(C).Cl{-}","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["518-75-2","citrinin;3,4-dihydro-8-hydroxy-3,4,5-trimethyl-6h-6-oxobenzo(c)pyran-7-carboxylic acid;(3s,4r)-8-hydroxy-3,4,5-trimethyl-6-oxo-4,6-dihydro-3h-isochromene-7-carboxylic acid;(3r-trans)-4,6-dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-3h-2-benzopyran-7-carboxylic acid;3h-2-benzopyran-7-carboxylic acid, 4,6-dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-, (3r-trans)-","C(=O)(O)C1C(=O)C(C)=C2C(C=1O)=COC(C)C2C","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinone methides|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Quinone methides","No alert found","No alert found","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinone methides|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Quinone methides","No alert found","H-acceptor-path3-H-acceptor"]
["72-55-9","dde, p,p'-;p,p'-dde;1,1'-(dichloroethenylidene)bis(4-chlorobenzene);dde;dichlorodiphenyldichloroethylene (dde);dichlorodiphenoldichloroethylene;2,2-bis(p-chlorophenyl)-1,1-dichloroethylene;1,1'-(2,2-dichloroethene-1,1-diyl)bis(4-chlorobenzene);benzene, 1,1'-(dichloroethenylidene)bis[4-chloro-;p,p''-dichlorodiphenyldichloroethylene;benzene, 1,1'-(dichloroethenylidene)bis(4-chloro- (9ci);72-55-9","c1(C(c2ccc(Cl)cc2)=C(Cl)Cl)ccc(Cl)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","No alert found","Halogenated PAH (naphthalenes, biphenyls, diphenyls) (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","No alert found"]
["16338-97-9","diallylnitrosamine;n-nitroso-n-prop-2-en-1-ylprop-2-en-1-amine;n-nitrosodiallylamine;2-propen-1-amine, n-nitroso-n-2-propenyl- (9ci);16338-97-9","C(=C)CN(CC=C)N=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","No S9 info","Mutation Research 584 (2005) 1-256","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2","Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","Alkyl and aryl N-nitroso groups","Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor"]
["2921-88-2","phosphorothioic acid, o,o-diethyl o-(3,5,6-trichloro-2-pyridinyl) ester;chlorpyrifos (dursban);chlorpyrifos;chlorpyrifos (dursban-technical);lorsban;o,o-diethyl-o-(3,5,6-trichloro-2-pyridyl)phosphorothiolate;o,o-diethyl o-(3,5,6-trichloropyridin-2-yl) phosphorothioate;chlorpyrifos (in pore water);o,o-diethyl o-(3,5,6-trichloropyridin-2-yl) thiophosphate;o,o-diethyl-o-(3,5,6-trichloro-2-pyridyl) phsphorothionate;2921-88-2","c1(Cl)c(Cl)cc(Cl)c(OP(=S)(OCC)OCC)n1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates","No alert found","No alert found","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates","No alert found","No alert found"]
["551-92-8","1,2-dimethyl-5-nitroimidazole;1,2-dimethyl-5-nitro-1h-imidazole;1h-imidazole, 1,2-dimethyl-5-nitro-;dimetridazole;1h-imidazole, 1,2-dimethyl-5-nitro- (9ci)","C1(N(=O)=O)=CN=C(C)N1C","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Unsaturated heterocyclic nitro","Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","Nitro-aromatic","H-acceptor-path3-H-acceptor|Nitro-aromatic"]
["57-63-6","ethinylestradiol;(8r,9s,13s,14s,17r)-17-ethynyl-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6h-cyclopenta[a]phenanthrene-3,17-diol;ethinyl estradiol;ethynylestradiol;17-a-ethynylestradiol;17-alpha-ethynyl estradiol;19-norpregna-1,3,5(10)-trien-20-yne-3,17-diol, (17.alpha.)-;(17beta)-17-ethynylestra-1(10),2,4-triene-3,17-diol;(17alpha)-19-norpregna-1,3,5(10)-trien-20-yne-3,17-diol;ethynlestradiol;19-norpregna-1,3,5(10)-trien-20-yne-3,17-diol, (17alpha)-","C(#C)C1(O)C2(C)C(C3C(c4c(cc(O)cc4)CC3)CC2)CC1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","N/A","YES","P&G","No","without S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","No alert found","Steroidal estrogens (nongenotoxic & genotoxic)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity","No alert found","No alert found","No alert found"]
["13073-35-3","ethionine;l-ethionine;l-homocysteine, s-ethyl-;s-ethyl-l-homocysteine","C(=O)(O)C(N)CCSCC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["100-41-4","ethylbenzene;ethyl benzene;benzene, ethyl-;100-41-4","c1(CC)ccccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","No S9 info","Mutation Research 584 (2005) 1-256","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity",null,"No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes","No alert found","No alert found","No alert found","No alert found"]
["23255-69-8","fusarenone x;fusarenon-x;trichothec-9-en-8-one, 4-(acetyloxy)-12,13-epoxy-3,7,15-trihydroxy-, (3-alpha,4-;(3alpha,4beta,6beta,11xi)-3,7,15-trihydroxy-8-oxo-12,13-epoxytrichothec-9-en-4-yl acetate;trichothec-9-en-8-one, 4-(acetyloxy)-12,13-epoxy-3,7,15-trihydroxy-, (3-alpha,4-beta,7-beta)-;23255-69-8","C12(C3(C)C4(CO)C(O)C(=O)C(C)=CC4OC1C(O)C3OC(C)=O)CO2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Specific Acetate Esters|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Specific Acetate Esters|SN2|SN2 >> Acylating agents|SN2 >> Acylating agents >> Specific Acetate Esters|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Specific Acetate Esters","Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated ketones|SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides","alpha,beta-unsaturated carbonyls (Genotox)|Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity","Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Specific Acetate Esters|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Specific Acetate Esters|SN2|SN2 >> Acylating agents|SN2 >> Acylating agents >> Specific Acetate Esters|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Specific Acetate Esters","alpha,beta-unsaturated carbonyls|Epoxides and aziridines","alpha,beta-unsaturated carbonyls|Epoxides and aziridines|H-acceptor-path3-H-acceptor"]
["149-91-7","gallic acid;3,4,5-trihydroxy-benzoic acid;benzoic acid, 3,4,5-trihydroxy-;3,4,5-trihydroxybenzoic acid","C(=O)(O)c1cc(O)c(O)c(O)c1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["517-28-2","hematoxylin;haematoxylin;benz[b]indeno[1,2-d]pyran-3,4,6a,9,10(6h)-pentol, 7,11b-dihydro-, cis-(++)-;benz[b]indeno[1,2-d]pyran-3,4,6a,9,10(6h)-pentol, 7,11b-dihydro-, (6as,11br)-;benz[b]indeno[1,2-d]pyran-3,4,6a,9,10(6h)-pentol, 7,11b-dihydro-, cis-(+)-;benz(b)indeno(1,2-d)pyran-3,4,6a,9,10(6h)-pentol, 7,11b-dihydro-van;benz(b)indeno(1,2-d)pyran-3,4,6a,9,10(6h)-pentol, 7,11b-dihydro-, cis-(+)-;(6ar,11bs)-7,11b-dihydroindeno[2,1-c]chromene-3,4,6a,9,10(6h)-pentol;benz(b)indeno(1,2-d)pyran-3,4,6a,9,10(6h)-pentol, 7,11b-dihydro- (van) (8ci)","c1(O)c(O)c2c(C3c4c(cc(O)c(O)c4)CC3(O)CO2)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Alkyl phenols|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["520-18-3","kaempferol;3,5,7-trihydroxy-2-(4-hydroxy-phenyl)-chromen-4-one;3,4',5,7-tetrahydroxyflavone;3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4h-chromen-4-one;3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4h-1-benzopyran-4-one;4h-1-benzopyran-4-one, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-","C1(O)C(=O)c2c(O)cc(O)cc2OC=1c1ccc(O)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","National Cancer Institute","No","without S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,null,"Short-Term Testing Program in the National Cancer Institute (NCI), National Institutes of Health, US Department of Health and Human Services",null,"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["150-76-5","4-methoxyphenol;methoxyphenol, 4 -;4-methoxy-phenol;1,4-benzenediol;phenol, 4-methoxy-;p-methoxyphenol;p-hydroxyanisole;p-methoxy-phenol;mequinol;phenol, p-methoxy-;150-76-5;mono-me ether","c1(O)ccc(OC)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones","No alert found","No alert found","No alert found","No alert found"]
["63412-06-6","n-methyl-n-nitrosobenzamide;benzamide, n-methyl-n-nitroso-","C(=O)(c1ccccc1)N(C)N=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2","Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","Alkyl and aryl N-nitroso groups","Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor"]
["56-49-5","3-methylcholanthrene;3-methylcholanthrene (mca);benz[j]aceanthrylene, 1,2-dihydro-3-methyl-;3-methyl-1,2-dihydrocyclopenta[ij]tetraphene;1,2-dihydro-3-methylbenz[j]aceanthrylene;benz(j)aceanthrylene, 1,2-dihydro-3-methyl-","c12c(c3c(c4c5c(c(C)ccc5c3)CC4)cc1)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","No S9 info","Mutation Research 584 (2005) 1-256","No strain info",null,"In Vitro mammalian chromosome aberration test","Gene mutation","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity",null,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1","Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons"]
["91-62-3","6-methylquinoline;6-methyl-quinoline;quinoline, 6-methyl-;91-62-3","c12c(cc(C)cc1)cccn2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["611-32-5","8-methylquinoline;8-methyl-quinoline;quinoline, 8-methyl-","c1(C)c2c(cccn2)ccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["79-24-3","nitroethane;nitro-ethane;ethane, nitro-;79-24-3","C(C)N(=O)=O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","No alert found","No alert found","No alert found","No alert found","No alert found"]
["108-03-2","1-nitropropane;propane, 1-nitro-;108-03-2","C(CC)N(=O)=O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","No alert found","No alert found","No alert found","No alert found","No alert found"]
["607-35-2","8-nitroquinoline;quinoline, 8-nitro-","c1(N(=O)=O)c2c(cccn2)ccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro","Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","Nitro-aromatic","H-acceptor-path3-H-acceptor|Nitro-aromatic"]
["67587-52-4","n-nitroso-2-hydroxymorpholine;4-nitrosomorpholin-2-ol","C1(O)CN(N=O)CCO1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","N/A","YES","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2","Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","Alkyl and aryl N-nitroso groups","Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor"]
["55-18-5","n-nitrosodiethylamine;n,n-diethylnitrosamine;n-nitrosodiethylamine [diethyl nitrosamine];diethylnitrosoamine;ethanamine, n-ethyl-n-nitroso-;diethylnitrosamine;n-ethyl-n-nitrosoethanamine;55-18-5","C(C)N(CC)N=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2","Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","Alkyl and aryl N-nitroso groups","Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor"]
["149-29-1","patulin;4,6-dihydro-4-hydroxy-2h-furo[3,2-c]pyran-2-one;4-hydroxy-4h-furo[3,2-c]pyran-2(6h)-one;4,6-dihydro-4-hydroxy-2h-furo(3,2-c)pyran-2-one;149-29-1","C12C(C(O)OCC=1)=CC(=O)O2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"No alert found","No alert found","alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","alpha,beta-unsaturated carbonyls","alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor"]
["87-86-5","phenol, 2,3,4,5,6-pentachloro-;pentachlorophenol;pentachlorophenate;2,3,4,5,6-pentachloro-phenol;2,3,4,5,6-pentachlorophenol;2,3,4,5,6-pentachlorophenol, technical grade;2,3,4,5,6-pentachlorophenol (dowicide ec-7);pentachloro-phenol;phenol, pentachloro-;pentachlorophenol, dowicide ec-7;pentachlorophenol, technical;pentachlotophenol (pcp);pentachlorophenolanditsalkalisalts;pentachlorophenol/tetrachlorophenol;pentachlorophenol/petroleum hydrocarbon mix;pentachlorophenol (pcp);87-86-5","c1(Cl)c(Cl)c(Cl)c(Cl)c(Cl)c1O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","No alert found","No alert found","Pentachloro phenol (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","No alert found"]
["13010-10-1","n-pentyl-n'-nitro-n-nitrosoguanidine;n'-nitro-n-pentyl-n-nitrosoguanidine;3-nitro-1-nitroso-1-pentylguanidine;guanidine, n'-nitro-n-nitroso-n-pentyl- (9ci)","C(=N)(N(CCCCC)N=O)NN(=O)=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2","Aliphatic N-nitro group (Genotox)|Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","Aliphatic N-nitro group|Alkyl and aryl N-nitroso groups","Aliphatic N-nitro group|Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor"]
["1120-71-4","1,3-propane sultone;1,2-oxathiolane, 2,2-dioxide;propane sultone;2,2-dioxide-1,2-oxathiolane;1,3-propanesultone;1-propanesulfonic acid, 3-hydroxy-, .gamma.-sultone;1,2-oxathiolane 2,2-dioxide;1,3propanesultone","C1CCOS1(=O)=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","No S9 info","Mutation Research 584 (2005) 1-256","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity",null,"SN2|SN2 >> Ring opening SN2 reaction|SN2 >> Ring opening SN2 reaction >> Sultones|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Sulfonates and Sulfates","SN2|SN2 >> Ring opening SN2 Reaction|SN2 >> Ring opening SN2 Reaction >> Sultones","Propiolactones or propiosultones (Genotox)|Structural alert for genotoxic carcinogenicity","SN2|SN2 >> Ring opening SN2 reaction|SN2 >> Ring opening SN2 reaction >> Sultones|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Sulfonates and Sulfates","Propiolactones or propiosultones","H-acceptor-path3-H-acceptor|Propiolactones or propiosultones"]
["2611-82-7","ponceau 4r;sx purple;acid red 18;c.i. acid red 18, trisodium salt;1,3-naphthalenedisulfonic acid, 7-hydroxy-8-Õ(4-sulfo-1-naphthalenyl)azoå-, trisodium salt;\"\"c.i. acid red 18, trisodium salt;1,3-naphthalenedisulfonic acid, 7-hydroxy-8-Õ(4-sulfo-1-naphthalenyl)azoå-, trisodium salt\"\"\";1,3-naphthalenedisulfonic acid, 7-hydroxy-8-[(4-sulfo-1-naphthalenyl)azo]-, trisodium salt;trisodium 7-hydroxy-8-[(z)-(4-sulfonatonaphthalen-1-yl)diazenyl]naphthalene-1,3-disulfonate","c1(O)c(N=Nc2c3c(c(S(=O)(=O)O)cc2)cccc3)c2c(S(=O)(=O)O)cc(S(=O)(=O)O)cc2cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Moderate Quality, Conflict","NO","National Cancer Institute","No","without S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,null,"Short-Term Testing Program in the National Cancer Institute (NCI), National Institutes of Health, US Department of Health and Human Services",null,"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["4548-53-2","fd&c red 4;1-naphthalenesulfonic acid, 3-[(2,4-dimethyl-5-sulfophenyl)azo]-4-hydroxy-, disodium salt;disodium 3-[(e)-(2,4-dimethyl-5-sulfonatophenyl)diazenyl]-4-hydroxynaphthalene-1-sulfonate","c1(S(=O)(=O)O)c2c(c(O)c(N=Nc3c(C)cc(C)c(S(=O)(=O)O)c3)c1)cccc2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality, Conflict","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"No alert found","No alert found","Benzenesulfonic ethers, methylation (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["127-47-9","vitamin a acetate;retinol acetate;retinol;retinol, acetate, all-trans-;retinol, acetate\"\"\";retinol, acetate;o~15~-acetylretinol;retinol, acetate, all-trans- (8ci);ac","C1(C)(C)C(C=CC(C)=CC=CC(C)=CCOC(C)=O)=C(C)CCC1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality, Conflict","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Specific Acetate Esters|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Specific Acetate Esters|SN2|SN2 >> Acylating agents|SN2 >> Acylating agents >> Specific Acetate Esters|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Specific Acetate Esters","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["68-76-8","trenimon;triaziquone;2,3,5-tris(aziridin-1-yl)cyclohexa-2,5-diene-1,4-dione","C1(N2CC2)C(=O)C(N2CC2)=C(N2CC2)C(=O)C=1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","No S9 info","Mutation Research 584 (2005) 1-256","No strain info",null,"In Vitro mammalian chromosome aberration test","Gene mutation","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity",null,"Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones|SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines","Michael addition|Michael addition >> Quinones and Quinone-type Chemicals|Michael addition >> Quinones and Quinone-type Chemicals >> Quinones|SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Aziridines","Epoxides and aziridines (Genotox)|Quinones (Genotox)|Structural alert for genotoxic carcinogenicity","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones|SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines","Epoxides and aziridines|Quinones","Epoxides and aziridines|H-acceptor-path3-H-acceptor|Quinones"]
["122-20-3","2-propanol, 1,1',1''-nitrilotris-;triisopropanolamine;1-[bis-(2-hydroxy-propyl)-amino]-propan-2-ol;tris (2-hydroxypropyl) amine;tris(2-hydroxypropyl)amine;2-propanol, 1,1 ,1  -nitrilotris-;tri-isopropanolamine;1-di(2-hydroxypropyl)amino-2-hydroxypropane;1,1',1''-nitrilotripropan-2-ol;2-propanol, 1,1’,1’’-nitrilotris-;1,1',1''-nitrilotri-2-propanol;2-propanol, 1,1',1''-nitrilotri-;122-20-3","C(C)(O)CN(CC(C)O)CC(C)O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["593-60-2","vinyl bromide;bromoethene;ethene, bromo-;ethylene, bromo-;ethylene, bromo-\"\"\";bromoethylene;bromoethylene(vinyl bromide);ethylene, bromo-\";bromoethene (9ci);593-60-2","C(=C)Br","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","No S9 info","Mutation Research 584 (2005) 1-256","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity",null,"No alert found","No alert found","Monohaloalkene (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Monohaloalkene","Monohaloalkene"]
["58-89-9","g-hexachlorocyclohexane (lindane);lindane;gamma-hexachlorocyclohexane;bhc;gamma-1,2,3,4,5,6-hexachlorocyclohexane;lindane (gama-hch);cyclohexane, 1,2,3,4,5,6-hexachloro-, (1a,2a,3b,4a,5a,6b)-;g-hch;gamma-hexachlorocycohexane;hexachlorocyclohexane, gamma-;?-hch or ?-bhc;cyclohexane, 1,2,3,4,5,6-hexachloro-, (1?,2?,3?,4?,5?,6?)-;cyclohexane, 1,2,3,4,5,6-hexachloro-, (1.alpha.,2.alpha.,3.beta.,4.alpha.,5.alpha.,6.beta.)-;gamma-hch or gamma-bhc;cyclohexane, 1,2,3,4,5,6-hexachloro-, .gamma.-;lindane [usan:ban:inn];(1r,2s,3r,4r,5s,6r)-1,2,3,4,5,6-hexachlorocyclohexane;1,2,3,4,5,6hexachlorocyclohexane(bhciso);(1alpha,2alpha,3beta,4alpha,5alpha,6beta)-1,2,3,4,5,6-hexachlorocyclohexane;(1r,2r,3s,4r,5r,6s)-1,2,3,4,5,6-hexachlorocyclohexane;gamma-hch;cyclohexane, 1,2,3,4,5,6-hexachloro-, (1alpha,2alpha,3beta,4alpha,5alpha,6beta)-;58-89-9","C1(Cl)C(Cl)C(Cl)C(Cl)C(Cl)C1Cl","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","SN2|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation >> Vicinal Dihaloalkanes","SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> 1,2-Dihaloalkanes","(Poly) Halogenated Cycloalkanes (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","No alert found"]
["58-90-2","2,3,4,6-tetrachlorophenol;tetrachlorophenol, 2,4,5,6-;chlorophenol, 2,3,4,6-;tetrachlorophenol, 2,3,4,6-;2,3,4,6-tetrachloro-phenol;phenol, 2,3,4,6-tetrachloro-;58-90-2","c1(Cl)c(Cl)c(Cl)c(O)c(Cl)c1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["71-36-3","1-butanol;butanol, 1-;butanol;butan-1-ol;n-butanol;butanol, n-;butyl alcohol;n-butyl alcohol;71-36-3","C(O)CCC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["78-83-1","2-methyl-1-propanol;methyl-1-propanol, 2-;isobutanol;isobutyl alcohol;1-propanol, 2-methyl-;iso-butanol;isobutyl-alcohol-;2-methylpropan-1-ol","C(C)(C)CO","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["79-09-4","propionic acid;propanoic acid;proprionic acid;79-09-4","C(=O)(O)CC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["84-66-2","diethyl phthalate;phthalic acid, diethylester;diethyl pthalate;phthalic acid diethylether;1,2-benzenedicarboxylic acid, 1,2-diethyl ester;phthalic acid  diethyl ester;phthalic acid diethyl ester;diethyl phthalate (dep);1,2-benzenedicarboxylic acid, diethyl ester;phthalic acid, diethyl ester;diethyl benzene-1,2-dicarboxylate;diethylphthalate","C(=O)(c1c(C(=O)OCC)cccc1)OCC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","No alert found","Phtalate (or buthyl) diesters and monoesters (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["84-66-2","diethyl phthalate;phthalic acid, diethylester;diethyl pthalate;phthalic acid diethylether;1,2-benzenedicarboxylic acid, 1,2-diethyl ester;phthalic acid  diethyl ester;phthalic acid diethyl ester;diethyl phthalate (dep);1,2-benzenedicarboxylic acid, diethyl ester;phthalic acid, diethyl ester;diethyl benzene-1,2-dicarboxylate;diethylphthalate","C(=O)(c1c(C(=O)OCC)cccc1)OCC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","No alert found","Phtalate (or buthyl) diesters and monoesters (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["87-59-2","2,3-dimethylaniline;dimethylaniline, 2,3-;2,3-xylidine;2,3-dimethyl-phenylamine;2,3-dimethylbenzenamine;2,3-dimethyl-aniline;benzenamine, 2,3-dimethyl-;118;87-59-2","c1(N)c(C)c(C)ccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Primary aromatic amine,hydroxyl amine and its derived esters","Primary aromatic amine, hydroxyl amine and its derived esters"]
["87-65-0","phenol, 2,6-dichloro-;2,6-dichlorophenol;chlorophenol, 2,6-;dichlorophenol, 2,6-;2,6-dichloro-phenol","c1(Cl)c(O)c(Cl)ccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["89-63-4","benzenamine, 4-chloro-2-nitro-;4-chloro-2-nitroaniline;2-nitro-4-chloroaniline;4-chloro-2-nitro-aniline;aniline, 4-chloro-2-nitro-;89-63-4","c1(N)c(N(=O)=O)cc(Cl)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN1 >> Nitrenium ion formation >> Nitro Compounds","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Nitro-aromatic (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","Nitro-aromatic|Primary aromatic amine,hydroxyl amine and its derived esters","H-acceptor-path3-H-acceptor|Nitro-aromatic|Primary aromatic amine, hydroxyl amine and its derived esters"]
["91-58-7","2-chloronaphthalene;2-monochloronaphthalene;chloronaphtalene, beta-;naphthalene, 2-chloro-;beta-chloronaphthalene;2-chloronapthalene;91-58-7","c12c(cc(Cl)cc1)cccc2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","No alert found","Halogenated benzene (Nongenotox)|Halogenated PAH (naphthalenes, biphenyls, diphenyls) (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","No alert found"]
["94-82-6","2,4-(dichlorophenoxy)butyric acid;2,4-db;4-(2,4-dichlorophenoxy)butyric acid;4-(2,4-dichlorophenoxy)butyric acid (2,4-db);4-(2,4-dichlorophenoxy)butanoic acid;butanoic acid, 4-(2,4-dichlorophenoxy)-;2,4-db acid;2,4-db sodium (400 g/l formulation);butanoic acid, 4-(2,4-dichlorophenoxy)- (9ci);94-82-6","c1(OCCCC(=O)O)c(Cl)cc(Cl)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["95-57-8","phenol, 2-chloro-;2-chlorophenol;chlorophenol, 2-;2-chloro-phenol;o-chlorophenol;phenol, o-chloro-;95-57-8","c1(Cl)c(O)cccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","No alert found","Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","No alert found"]
["95-68-1","benzenamine, 2,4-dimethyl-;2,4-dimethylaniline;2,4-dimethyl-phenylamine;2,4-xylidine.hcl;2,4-dimethyl-aniline;2,4-xylidine;1-amino-2,4-dimethylbenzene;95-68-1","c1(N)c(C)cc(C)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 97","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Primary aromatic amine,hydroxyl amine and its derived esters","Primary aromatic amine, hydroxyl amine and its derived esters"]
["95-95-4","phenol, 2,4,5-trichloro-;2,4,5-trichlorophenol;trichlorophenol, 2,4,5-;2,4,5-trichloro-phenol;95-95-4","c1(Cl)c(Cl)cc(Cl)c(O)c1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["98-16-8","a,a,a-tetrafluoro-m-toluidine;3-aminobenzotrifluoride;3-trifluoromethyl-phenylamine;3-trifluoromethylaniline;3-amino-alpha,alpha,alpha-trifluorotoluene;3-trifluoromethyl-aniline;±,±,±-trifluoro-m-toluidine;?,?,?-trifluoro-m-toluidine;benzenamine, 3-(trifluoromethyl)-;3-trifluoromethylbenzenamine;m-toluidine, .alpha.,.alpha.,.alpha.-trifluoro-;3-(trifluoromethyl)aniline;α,α,α-trifluoro-m-toluidine;m-toluidine, alpha,alpha,alpha-trifluoro-;98-16-8","C(F)(F)(F)c1cc(N)ccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 97","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","Primary aromatic amine,hydroxyl amine and its derived esters","Primary aromatic amine, hydroxyl amine and its derived esters"]
["99-08-1","benzene, 1-methyl-3-nitro-;3-nitrotoluene;m-nitrotoluene;1-methyl-3-nitrobenzene;toluene, m-nitro-;99-08-1","c1(N(=O)=O)cc(C)ccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro","Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Nitro-aromatic","Nitro-aromatic"]
["99-65-0","1,3-dinitrobenzene;dinitrobenzene, 1,3-;dinitrobenzene, m-;benzene, 1,3-dinitro-;benzene, m-dinitro-;m-dinitrobenzene","c1(N(=O)=O)cc(N(=O)=O)ccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro","Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","Nitro-aromatic","Nitro-aromatic"]
["101-54-2","aminodiphenylamine, 4-;1,4-benzenediamine, n1-phenyl-;n-phenyl-p-phenylenediamine;4-aminodiphenylamine;1,4-benzenediamine, n-phenyl-;4-phenylaminoaniline;n-(4-aminophenyl)aniline;p-phenylenediamine, n-phenyl-;variamine blue rt;n-phenylbenzene-1,4-diamine;n-phenyl-1,4-benzenediamine;p-aminodiphenylamine;n-phenyl-para-phenylenediamine","c1(N)ccc(Nc2ccccc2)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","Primary aromatic amine,hydroxyl amine and its derived esters","Primary aromatic amine, hydroxyl amine and its derived esters"]
["105-67-9","2,4-dimethylphenol;dimethylphenol, 2,4-;2,4-dimethyl-phenol;phenol, 2,4-dimethyl-;2,4-xylenol;105-67-9","c1(O)c(C)cc(C)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 97","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Alkyl phenols","No alert found","No alert found","No alert found","No alert found"]
["106-43-4","benzene, 1-chloro-4-methyl-;4-chlorotoluene;chlorotoluene, 4-;p-chlorotoluene;toluene, p-chloro-;1-chloro-4-methylbenzene;106-43-4","c1(Cl)ccc(C)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"No alert found","No alert found","Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","No alert found"]
["106-43-4","benzene, 1-chloro-4-methyl-;4-chlorotoluene;chlorotoluene, 4-;p-chlorotoluene;toluene, p-chloro-;1-chloro-4-methylbenzene;106-43-4","c1(Cl)ccc(C)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","No alert found","No alert found","Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","No alert found"]
["107-07-3","ethylene chlorohydrin;chloroethanol, 2-;chloroethanol;2-chloroethanol;2-chloro-ethanol;2-chloroethanol [ethylene chlorohydrin];ethanol, 2-chloro-;ethylene chlorhydrin;107-07-3","C(Cl)CO","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"Elimination (E2)|Elimination (E2) >> E2 elimination reaction with epoxide formation|Elimination (E2) >> E2 elimination reaction with epoxide formation >> Haloalcohols|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Haloalcohols","SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides","Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity","Elimination (E2)|Elimination (E2) >> E2 elimination reaction with epoxide formation|Elimination (E2) >> E2 elimination reaction with epoxide formation >> Haloalcohols|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Haloalcohols","Aliphatic halogens","Aliphatic halogen"]
["108-21-4","isopropyl acetate;iso-propyl acetate;acetic acid, 1-methylethyl ester;acetic acid, isopropyl ester;propan-2-yl acetate;108-21-4","C(C)(=O)OC(C)C","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Specific Acetate Esters|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Specific Acetate Esters|SN2|SN2 >> Acylating agents|SN2 >> Acylating agents >> Specific Acetate Esters|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Specific Acetate Esters","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["108-38-3","xylene, 3-;m-xylene;benzene, 1,3-dimethyl-;benzene, 1,3-dimethyl;1,3-dimethylbenzene;108-38-3","c1(C)cc(C)ccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes","No alert found","No alert found","No alert found","No alert found"]
["108-42-9","3-chloroaniline;chloroaniline, 3-;m-chloroaniline;3-chloro-phenylamine;benzenamine, 3-chloro-;3-chloro-aniline;108-42-9","c1(Cl)cc(N)ccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Primary aromatic amine,hydroxyl amine and its derived esters","Primary aromatic amine, hydroxyl amine and its derived esters"]
["109-89-7","diethylamine;diethyl-amine;ethanamine, n-ethyl-;ethylaminoethane;n-ethylethanamine;109-89-7","C(C)NCC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["110-02-1","thiophene;thiophene (thiofuran);110-02-1","C1C=CSC=1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","Michael addition|Michael addition >> P450 Mediated Activation of Heterocyclic Ring Systems|Michael addition >> P450 Mediated Activation of Heterocyclic Ring Systems >> Thiophenes-Michael addition|SN2|SN2 >> P450 Mediated Epoxidation|SN2 >> P450 Mediated Epoxidation >> Thiophenes-SN2","No alert found","No alert found","No alert found","No alert found"]
["110-82-7","cyclohexane;110-82-7","C1CCCCC1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["110-91-8","morpholine;morpholine:;morpholineanditssalts;110-91-8","C1CNCCO1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","Schiff base formers|Schiff base formers >> Chemicals Activated by P450 to Glyoxal |Schiff base formers >> Chemicals Activated by P450 to Glyoxal  >> Ethanolamines (including morpholine)","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["111-42-2","diethanolamine;diethanol amine;2-(2-hydroxy-ethylamino)-ethanol;ethanol, 2,2'-iminobis-;2,2’-iminodiethanol;2,2'-iminodiethanol;ethanol, 2,2’-iminobis-;2,2'-iminobis ethanol;ethanol, 2,2'-iminodi-;2,2'-iminobisethanol;111-42-2","C(O)CNCCO","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","No S9 info","Mutation Research 584 (2005) 1-256","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity",null,"No alert found","Schiff base formers|Schiff base formers >> Chemicals Activated by P450 to Glyoxal |Schiff base formers >> Chemicals Activated by P450 to Glyoxal  >> Ethanolamines (including morpholine)","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["111-76-2","n-butoxyethanol;ethylene glycol mono-n-butyl ether;2-butoxyethanol;ethanol, 2-butoxy-;ethylene glycol mono butyl ether;butyl cellosolve;butoxyethanol;ethylene glycol monbutyl ether;ethylene glycol (mono) n-butyl ether;2-n-butoxyethanol;111-76-2","C(CCC)OCCO","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["114-26-1","propoxur (baygon);baygon;propoxur;phenol, 2-(1-methylethoxy)-, methylcarbamate;2-isopropoxyphenyl methylcarbamate;2-(1-methylethoxy)phenol, methylcarbamate;propoxur baygon 1.5 formulation;propoxur  baygon 1.5 formulation;2-(1-methylethoxy)phenyl methylcarbamate;carbamic acid, methyl-, o-isopropoxyphenyl ester;114-26-1","c1(OC(C)C)c(OC(=O)NC)cccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","National Cancer Institute","No","without S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,null,"Short-Term Testing Program in the National Cancer Institute (NCI), National Institutes of Health, US Department of Health and Human Services",null,"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["120-82-1","1,2,4-trichlorobenzene;trichlorobenzene, 1,2,4-;benzene, 1,2,4-trichloro-;1,2,4-trichlorbenzene;120-82-1","c1(Cl)c(Cl)cc(Cl)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 97","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["123-30-8","phenol, 4-amino-;4-aminophenol (4-hydroxyaniline);p-aminophenol;4-amino-phenol;4-aminophenol;aminophenol, p-;4-hydroxy-aniline;phenol, p-amino-;123-30-8","c1(O)ccc(N)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","Primary aromatic amine,hydroxyl amine and its derived esters","Primary aromatic amine, hydroxyl amine and its derived esters"]
["123-86-4","butyl acetate;butyl-n acetate;n-butyl acetate;n-butylacetate;acetic acid, butyl ester;butyl ester, acetic acid;butylacetate;123-86-4;butyl  acetate","C(C)(=O)OCCCC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Specific Acetate Esters|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Specific Acetate Esters|SN2|SN2 >> Acylating agents|SN2 >> Acylating agents >> Specific Acetate Esters|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Specific Acetate Esters","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["126-73-8","phosphoric acid tributyl ester;tributyl phosphate;phosphoric acid, tributylester;tributylphosphate;phosphoric acid, tributyl ester;butyl phosphate, ((buo)3po);phosphoric-acid-tributyl-ester-;tri-n-butyl phosphate;126-73-8","C(CCC)OP(=O)(OCCCC)OCCCC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates","No alert found","Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid (Genotox)|Structural alert for genotoxic carcinogenicity","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates","Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid","Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid|H-acceptor-path3-H-acceptor"]
["141-43-5","monoethanolamine;2-amino-ethanol;ethanol, 2-amino-;ethanolamine;1-amino-2-hydroxy-ethane;2-aminoethanol;141-43-5","C(O)CN","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","Schiff base formers|Schiff base formers >> Chemicals Activated by P450 to Glyoxal |Schiff base formers >> Chemicals Activated by P450 to Glyoxal  >> Ethanolamines (including morpholine)","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["141-78-6","ethyl acetate;acetic acid ethyl ester;acetic acid, ethyl ester;ethyl ethanoate;141-78-6","C(C)(=O)OCC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Specific Acetate Esters|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Specific Acetate Esters|SN2|SN2 >> Acylating agents|SN2 >> Acylating agents >> Specific Acetate Esters|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Specific Acetate Esters","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["298-04-4","disulfoton;o,o-diethyl-s-[2-(ethylthio)ethyl]ester, phosphorothioic acid;o,o-diethyl s-[2-(ethylsulfanyl)ethyl] phosphorodithioate;phosphorodithioic acid, o,o-diethyl s-[2-(ethylthio)ethyl] ester;phosphorodithioic acid, o,o-diethyl-s-[2-(ethylthio)ethyl] ester;disulfoton/fensulfothion mixture;disulfoton disyston 15 g formulation;disulfoton disyston 6lb/gal;disulfoton sulfone degadate;disulfoton sulfoxide degradate;disulfoton 2% granular formulation;disulfoton/chloroneb mixture;phosphorodithioic acid, o,o-diethyl s-(2-(ethylthio)ethyl) ester;298-04-4","C(CSCC)SP(=S)(OCC)OCC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates","No alert found","No alert found","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates","No alert found","No alert found"]
["506-77-4","cyanogen chloride;cyanogen chloride ((cn)cl);cyanogen chloride, ((cn)cl);cyanic chloride","C(#N)Cl","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Hansen K. et al.","No","No S9 info","J. Chem. Inf. Model., 2009, 49 (9), pp 2077–2081","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",2009,"No information for Salmonella thyphimurium strain and S9 metabolic activation",null,null,"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["541-73-1","benzene, 1,3-dichloro-;1,3-dichlorobenzene;dichlorobenzene, 1,3-;m-dichlorobenzene;1,3-di-chlorobenzene;3-dichlorobenzene;benzene, m-dichloro-","c1(Cl)cc(Cl)ccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["576-24-9","phenol, 2,3-dichloro-;2,3-dichlorophenol;dichlorophenol, 2,3-;chlorophenol, 2,3-;2,3-dichloro-phenol","c1(Cl)c(Cl)c(O)ccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["608-93-5","benzene, 1,2,3,4,5-pentachloro-;pentachlorobenzene;penta-chlorobenzene;benzene, pentachloro-;1,2,3,4,5-pentachlorobenzene;608-93-5","c1(Cl)c(Cl)c(Cl)c(Cl)c(Cl)c1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["634-66-2","benzene, 1,2,3,4-tetrachloro-;2,3,4,5-tetrachloroaniline;tetrachlorobenzene, 1,2,3,4-;1,2,3,4-tetrachlorobenzene;1,2,3,4-tetra-chlorobenzene;634-66-2","c1(Cl)c(Cl)c(Cl)c(Cl)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["759-94-4","eptc;eptam;eptam (eptc);s-ethyl dipropylthiocarbamate;ethyl dipropylthiocarbamate, s-;eptam (s-ethyl-n,n-dipropylthiocarbamate);s-ethyl dipropylthiocarbamate (eptc);carbamothioic acid, dipropyl-, s-ethyl ester;carbamic acid, dipropylthio-, s-ethyl ester;s-ethyl dipropylcarbamothioate;n,n-dipropylcarbamothioic acid s-ethyl ester;ethyl n,n-dipropylthiocarbamate (eptc);ethyl dipropylthiocarbamate(eptc) formulation;ethyl dipropylthiocarbamate (eptc);ethyl dipropylthiocarbamate 6e formulation;ethyl n,n-dipropylthiocarbamate  sulfoxide;dipropylcarbamothioic acid s-ethyl ester;759-94-4","C(=O)(N(CCC)CCC)SCC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","Alkyl carbamate and thiocarbamate (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Alkyl carbamate and thiocarbamate","Alkyl carbamate and thiocarbamate|H-acceptor-path3-H-acceptor"]
["944-22-9","fonofos;fonophos;o-ethyl s-phenyl ethylphosphonodithioate;ethylphosphonodithioic acid, o-ethyl s-phenyl ester;fonofos/lambda-cyhalothrin mixture;phosphonodithioic acid, ethyl-, o-ethyl s-phenyl ester;944-22-9","c1(SP(=S)(CC)OCC)ccccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates","No alert found","No alert found","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates","No alert found","No alert found"]
["1563-66-2","carbofuran;2,3-dihydro-2,2-dimethyl-7-benzofuranol, methylcarbamate;7-benzofuranol, 2,3-dihydro-2,2-dimethyl-, methylcarbamate;carbamic acid, methyl-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester;2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate;1563-66-2","c1(OC(=O)NC)c2c(ccc1)CC(C)(C)O2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["1918-00-9","dicamba;5-methoxy benzoic acid (dicamba);3,6-dichloro-2-methoxybenzoic acid;benzoic acid, 3,6-dichloro-2-methoxy-;3,6-dichloro-2-methyoxybenzoic acid;dicamba/diflufenzopyr mixture;dicamba/diflufenzopyr mix (distinct);dicamba (acid);1918-00-9","C(=O)(O)c1c(OC)c(Cl)ccc1Cl","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","No alert found","No alert found","Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["1982-49-6","siduron;urea, n-(2-methylcyclohexyl)-n'-phenyl-;1-(2-methylcyclohexyl)-3-phenylurea;n-(2-methylcyclohexyl)-n'-phenylurea;siduron formulation;siduron/heptachlor agrico formulation mixture;urea, n-(2-methylcyclohexyl)-n'-phenyl- (9ci);1982-49-6","c1(NC(=O)NC2C(C)CCCC2)ccccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic phenylureas","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["3689-24-5","sulfotep;tetraethyl dithiopyrophosphate;sulfotepp;tetraethyldithiopyrophosphate;o,o,o,o-tetraethyl dithiodiphosphate;thiodiphosphoric acid, tetraethyl ester;tedp;thiodiphosphoric acid (((ho)2p(s))2o), tetraethyl ester (9ci);3689-24-5","C(C)OP(=S)(OCC)OP(=S)(OCC)OCC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 97","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates","No alert found","No alert found","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates","No alert found","No alert found"]
["6923-22-4","(e)-monocrotophos;monocrotophos;azodrin;dimethyl (2e)-4-(methylamino)-4-oxobut-2-en-2-yl phosphate;phosphoric acid, dimethyl 1-methyl-3-(methylamino)-3-oxo-1-propenyl ester, (e)-;phosphoric acid dimethyl (1e)-1-methyl-3-(methylamino)-3-oxo-1-propen-1-yl ester;monocrotophos (cancelled in u.s.);phosphoric acid, dimethyl ester, ester with (e)-3-hydroxy-n-methylcrotonamide;6923-22-4","C(=O)(C=C(C)OP(=O)(OC)OC)NC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates","No alert found","Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid (Genotox)|alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates","Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid|alpha,beta-unsaturated carbonyls","Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid|alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor"]
["10605-21-7","carbamic acid, n-1h-benzimidazol-2-yl-, methyl ester;methyl benzimidazole-2-ylcarbamate;carbendazim;carbamic acid, 1h-benzimidazol-2-yl-, methyl ester;carbendazin;methyl 1h-benzimidazole-2-carbamate;1h-benzimidazol-2-yl carbamic acid, methyl ester;2-benzimidazolecarbamic acid, methyl ester;methyl 1h-benzimidazol-2-ylcarbamate;n-1h-benzimidazol-2-yl carbamic acid methyl ester;methyl 2-benzimidazolecarbamate;carbendazim (benomyl metabolite);1h-benzimidazol-2-yl carbamic acid methyl ester;10605-21-7","c12c(cccc1)N=C(NC(=O)OC)N2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","No alert found","Alkyl carbamate and thiocarbamate (Genotox)|Imidazole, benzimidazole (Nongenotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity","No alert found","Alkyl carbamate and thiocarbamate","Alkyl carbamate and thiocarbamate|H-acceptor-path3-H-acceptor"]
["16752-77-5","methomyl (lannate);methomyl;n-[[(methylamino)carbonyl]oxy]ethanimidothioic acid methyl ester;methyl (1e)-n-[(methylcarbamoyl)oxy]ethanimidothioate;ethanimidothioic acid, n-[[(methylamino)carbonyl]oxy]-, methyl ester;methomyl h-8385 formulated product;ethanimidothioic acid, n-(((methylamino)carbonyl)oxy)-, methyl ester (9ci);16752-77-5","C(C)(=NOC(=O)NC)SC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["22224-92-6","phenamiphos;fenamiphos;fenamiphos sulfoxide;fenamiphos sulfone;ethyl 3-methyl-4-(methylsulfanyl)phenyl isopropylphosphoramidoate;phosphoramidic acid, (1-methylethyl)-, ethyl 3-methyl-4-(methylthio)phenyl ester;(1-methylethyl)phosphoramidic acid ethyl-3-methyl-4-(methylthio)phenyl ester;fenamiphos sulfoxide degradate.;22224-92-6","c1(SC)c(C)cc(OP(=O)(NC(C)C)OCC)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 97","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates","No alert found","No alert found","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates","No alert found","H-acceptor-path3-H-acceptor"]
["67-63-0","2-propanol (isopropanol);citric acid;propanol, 2-;2-propanol;propan-2-ol;isopropanol;iso-propanol;isopropyl alcohol;isopropanol  (ipa);isopropyl alcohol [usan];isopropyl alcohol/copper acetate complex;isopropanol/formaldehyde;67-63-0","C(C)(C)O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["78-90-0","1,2-diaminopropane;propylenediamine;(s)-propane-1,2-diamine;propane-1,2-diamine;1,2-diamino-propane;1,2-propanediamine","C(C)(N)CN","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 97","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["79-20-9","methyl acetate;acetic acid, methyl ester","C(C)(=O)OC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Specific Acetate Esters|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Specific Acetate Esters|SN2|SN2 >> Acylating agents|SN2 >> Acylating agents >> Specific Acetate Esters|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Specific Acetate Esters","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["80-46-6","p-tert-pentylphenol;4-tert-amylphenol;p-tert-amylphenol;p-tert-pentyl phenol;4-(1,1-dimethylpropyl)phenol;4-(tert-pentyl)phenol;p-(1,1-dimethylpropyl)phenol;phenol, 4-(1,1-dimethylpropyl)-;phenol, p-tert-pentyl-;4-(2-methylbutan-2-yl)phenol;4-tert-pentylphenol;80-46-6;4-ter-pentylphenol","C(C)(C)(c1ccc(O)cc1)CC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["84-69-5","isophthalic acid, di-n-butyl ester;diisobutyl phthalate;1,2-benzenedicarboxylic acid, 1,2-bis(2-methylpropyl) ester;di-l-butyl phthalate (dibp);di-isobutylphthalate;1,2-benzenedicarboxylic acid, bis(2-methylpropyl) ester;phthalic acid, diisobutyl ester;bis(2-methylpropyl) benzene-1,2-dicarboxylate;di-i-butyl phthalate (dibp)","C(=O)(c1c(C(=O)OCC(C)C)cccc1)OCC(C)C","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","No alert found","Phtalate (or buthyl) diesters and monoesters (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["90-15-3","1-naphthol;naphthol, 1-;naphthalen-1-ol;1-naphthalenol;1-hydroxynaphthalene","c1(O)c2c(cccc2)ccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["100-37-8","ethanol, 2-(diethylamino)-;diethanolamine;n,n-diethylethanolamine;2-(diethylamino)ethanol;2-diethylamino-ethanol;2-(diethylamino)-ethanol;diethylaminoethanol;2-diethylaminoethanol;1-diethylamino-2-hydroxyethane;2-aminoethanol;100-37-8;<i>n</i>,<i>n</i>-di-et","C(O)CN(CC)CC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["100-61-8","benzenamine, n-methyl-;n-methylaniline;methyl-phenyl-amine;methylaniline","c1(NC)ccccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Secondary aromatic amine","Aromatic mono-and dialkylamine (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Aromatic mono-and dialkylamine","Aromatic mono- and dialkylamine"]
["100-64-1","cyclohexanone oxime;cyclohexanone, oxime;n-hydroxycyclohexanimine","C1(=NO)CCCCC1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> N-hydroxylamines","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["104-90-5","5-ethyl-2-methylpyridine (5-ethyl-2-picoline);5-ethyl-2-methylpyridine;3-ethyl-6-methylpyridine;pyridine, 5-ethyl-2-methyl-;2-picoline, 5-ethyl-;5-ethyl-2-picoline;104-90-5","c1(C)ccc(CC)cn1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["107-12-0","propionitrile;propiononitrile;propanoic acid;propanenitrile;107-12-0;nitrile","C(#N)CC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["107-14-2","chloroacetonitrile;acetonitrile, chloro-;107-14-2","C(#N)CCl","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups","SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides","Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity","Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups","Aliphatic halogens","Aliphatic halogen"]
["109-76-2","1,3-diaminopropane;propane-1,3-diamine;1,3-propanediamine;1,3-diamino-propane;trimethylenediamine;109-76-2","C(N)CCN","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["109-77-3","malononitrile (nominals);malonic dinitrile;malononitrile;propanedinitrile;109-77-3","C(#N)CC#N","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 97","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["109-99-9","tetrahydrofuran;furan, tetrahydro-;109-99-9","C1CCCO1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","No alert found","No alert found","No alert found","No alert found","Oxolane"]
["110-88-3","s-trioxane;1,3,5-trioxane;[1,3,5]trioxane\"\";1,3,5-trioxane\";trioxane;trioxymethylene(1,3,5trioxan);[1,3,5]trioxane\"","C1OCOCO1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["111-69-3","1,4-dicyanobutane;adiponitrile;hexanedioic acid;hexanedinitrile;111-69-3;dinitrile","C(#N)CCCCC#N","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["118-79-6","2,4,6-bromophenol;tribromophenol, 2,4,6-;2,4,6-tribromophenol;2,4,6-tribromo-phenol;phenol, 2,4,6-tribromo-;118-79-6","c1(Br)c(O)c(Br)cc(Br)c1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["121-32-4","3-ethoxy-4-hydroxybenzaldehyde;3,4-dihydroxybenzaldehyde;ethyl vanillin;benzaldehyde, 3-ethoxy-4-hydroxy-;ethylvanillin;121-32-4;3-et ether","c1(O)c(OCC)cc(C=O)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","No alert found","Simple aldehyde (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Simple aldehyde","H-acceptor-path3-H-acceptor|Simple aldehyde"]
["121-33-5","vanillin (3-methoxy-4-hydroxybenzaldehyde);3,4-dihydroxybenzaldehyde;vanillin;4-hydroxy-3-methoxy-benzaldehyde;benzaldehyde, 4-hydroxy-3-methoxy-;vanilin;4-hydroxy-3-methoxybenzaldehyde;121-33-5;3-methoxy-4-hydroxybenzaldehyde;3-me ether","c1(O)c(OC)cc(C=O)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones","Simple aldehyde (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Simple aldehyde","H-acceptor-path3-H-acceptor|Simple aldehyde"]
["132-64-9","dibenzofuran;dibenzofurane;diphenylene oxide;dibenzo[b,d]furan","c12-c3c(cccc3)Oc1cccc2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"No alert found","No alert found","Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Heterocyclic Polycyclic Aromatic Hydrocarbons","Heterocyclic Polycyclic Aromatic Hydrocarbons"]
["134-62-3","benzamide, n,n-diethyl-3-methyl-;n,n-diethyl-m-toluamide;deet [n,n,-diet-3-me benzamide];n,n-diethyl-m-toluamide (deet);diethyl toluamide;3-methylbenzoic acid;diethyltoluamide;n,n-diethyl-3-methylbenzamide;m-toluamide, n,n-diethyl-;diethyl toluamide (deet);134-62-3;diethylamide","C(=O)(c1cc(C)ccc1)N(CC)CC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 97","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["464-45-9","[(1s)-endo]-(-)-borneol;borneol;bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, (1s-endo)-;(1s-endo)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol;bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, (1s,2r,4s)-;(-)-borneol;(1s,2r,4s)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol;((1s)-endo))-(-)-borneol;bicyclo(2.2.1)heptan-2-ol, 1,7,7-trimethyl-, (1s,2r,4s)-;464-45-9;2-bornanol;(1<i>s</i>,2<i>r</i>)-form","C1(C)(C)C2(C)C(O)CC1CC2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["608-71-9","phenol, 2,3,4,5,6-pentabromo-;pentabromophenol;phenol, pentabromo-;608-71-9","c1(Br)c(Br)c(Br)c(Br)c(Br)c1O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 97","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["625-86-5","2,5-dimethylfuran;furan, 2,5-dimethyl-","C1(C)=CC=C(C)O1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"No alert found","Michael addition|Michael addition >> P450 Mediated Activation of Heterocyclic Ring Systems|Michael addition >> P450 Mediated Activation of Heterocyclic Ring Systems >> Furans","No alert found","No alert found","No alert found","No alert found"]
["874-42-0","2,4-dichlorobenzaldehyde;benzaldehyde, 2,4-dichloro-","c1(Cl)c(C=O)ccc(Cl)c1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 97","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","No alert found","Simple aldehyde (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Simple aldehyde","Simple aldehyde"]
["920-66-1","2-propanol, 1,1,1,3,3,3-hexafluoro-;1,1,1,3,3,3-hexafluoro-2-propanol;1,1,1,3,3,3-hexafluoro-propan-2-ol;1,1,1,3,3,3-hexafluoropropan-2-ol;hexafluoroisopropanol","C(F)(F)(F)C(O)C(F)(F)F","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["1122-54-9","4-acetylpyridine;1-pyridin-4-yl-ethanone;4-acetyl pyridine;methyl 4-pyridyl ketone;ethanone, 1-(4-pyridinyl)-;ketone, methyl 4-pyridyl;1-(pyridin-4-yl)ethanone;1-(4-pyridinyl)ethanone","C(C)(=O)c1ccncc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["4460-86-0","2,4,5-trimethoxybenzaldehyde;benzaldehyde, 2,4,5-trimethoxy-","c1(OC)c(C=O)cc(OC)c(OC)c1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones","Simple aldehyde (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Simple aldehyde","1,3-dialkoxy-benzene|H-acceptor-path3-H-acceptor|Simple aldehyde"]
["4901-51-3","2,3,4,5-tetrachlorophenol;tetrachlorophenol, 2,3,4,5-;phenol, 2,3,4,5-tetrachloro-;4901-51-3","c1(Cl)c(Cl)c(Cl)c(Cl)c(O)c1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["60-09-3","4-aminoazobenzene;4-phenylazoaniline;4-phenylazo-phenylamine;p-phenylazoaniline;p-aminoazobenzene;solvent yellow 1;p-(phenylazo)aniline;benzenamine, 4-(phenylazo)-;c.i. solvent yellow 1;4-[(e)-phenyldiazenyl]aniline;4aminoazobenzene;4-(phenylazo)benzenamine;para-aminoazobenzene;4-(phenyldiazenyl)aniline;c.i. solvent yellow 1 (8ci)","c1(N)ccc(N=Nc2ccccc2)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic azo|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Aromatic diazo (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","Aromatic diazo|Primary aromatic amine,hydroxyl amine and its derived esters","Aromatic diazo|H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters"]
["90-04-0","o-anisidine (2-methoxyaniline);o-anisidine;2-methoxy-phenylamine;benzenamine, 2-methoxy-;2-anisidine hydrochloride;2-methoxyaniline;2-methoxy-aniline;2-anisidine;oanisidine;2-methoxybenzeneamine;90-04-0","c1(OC)c(N)cccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Primary aromatic amine,hydroxyl amine and its derived esters","H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters"]
["105-87-3","geranyl acetate;geraniol acetate;3,7-dimethyl-2,6-octadien-1-ol;2,6-octadien-1-ol, 3,7-dimethyl-, acetate, (e)-;2,6-octadien-1-ol, 3,7-dimethyl-, acetate, (2e)-;(2e)-3,7-dimethylocta-2,6-dien-1-yl acetate;105-87-3;(<i>e</i>)-form, ac","C(C)(C)=CCCC(C)=CCOC(C)=O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 97","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Specific Acetate Esters|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Specific Acetate Esters|SN2|SN2 >> Acylating agents|SN2 >> Acylating agents >> Specific Acetate Esters|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Specific Acetate Esters","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["119-93-7","[1,1'-biphenyl]-4,4'-diamine, 3,3'-dimethyl-;3,3'-dimethylbenzidine;3,3'-dimethylbenzidine dihydrochloride;3,3'-dimethyl-biphenyl-4,4'-diamine;bianisidine;[1,1-biphenyl]-4,4-diamine, 3,3-dimethyl-;tolidine;3,3'-tolidine;4,4'-diamino-3,3'-dimethylbiphenyl;4,4'-bi-o-toluidine;[1,1’-biphenyl]-4,4’-diamine, 3,3’-dimethyl-;3,3-dimethylbenzidine;orthotolidine;3,3'-dimethylbiphenyl-4,4'-diamine;4,4?biotoluidine(orthotolidine);3,3'-dimethyl-[1,1'-biphenyl]-4,4'-diamine;3,3''-dimethylbenzidine;o-tolidine;(1,1'-biphenyl)-4,4'-diamine, 3,3'-dimethyl-","c1(-c2cc(C)c(N)cc2)cc(C)c(N)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Primary aromatic amine,hydroxyl amine and its derived esters","Primary aromatic amine, hydroxyl amine and its derived esters"]
["205-82-3","benzo[j]fluoranthene;benzo(j)fluoranthene","c12c(c3c(c4c5c(cccc35)ccc4)cc1)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"No alert found","No alert found","Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons"]
["823-40-5","2,6-diaminotoluene;2,6-toluenediamine dihydrochloride;2-methyl-m-phenylenediamine;1,3-benzenediamine, 2-methyl-;toluene-2,6-diamine;2-methylbenzene-1,3-diamine;2methylmphenylenediamine(toluene2,6diamine);1,3-diamino-2-methylbenzene","c1(N)c(C)c(N)ccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","Primary aromatic amine,hydroxyl amine and its derived esters","Primary aromatic amine, hydroxyl amine and its derived esters"]
["4342-03-04","dacarbazine;imidazol-4-conh2-5(33dime-1-triazeno);dacarbazine [usan:ban:inn:jan];4-[(1e)-3,3-dimethyltriaz-1-en-1-yl]-1h-imidazole-5-carboxamide;1h-imidazole-4-carboxamide, 5-(3,3-dimethyl-1-triazenyl)-","C(N)(=O)C1=C(N=NN(C)C)NC=N1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"SN2|SN2 >> Carbenium Ion Formation|SN2 >> Carbenium Ion Formation >> Acyclic Triazenes","No alert found","alpha,beta-unsaturated carbonyls (Genotox)|Azide and triazene groups (Genotox)|Imidazole, benzimidazole (Nongenotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity","SN2|SN2 >> Carbenium Ion Formation|SN2 >> Carbenium Ion Formation >> Acyclic Triazenes","alpha,beta-unsaturated carbonyls|Azide and triazene groups","alpha,beta-unsaturated carbonyls|Azide and triazene groups|H-acceptor-path3-H-acceptor"]
["51-43-4","epinephrine;4-(1-hydroxy-2-methylamino-ethyl)-benzene-1,2-diol;4-((r)-1-hydroxy-2-methylamino-ethyl)-benzene-1,2-diol;1,2-dihydroxy-4-(1-hydroxy-2-methylamino)ethylbenzene;1,2-benzenediol, 4-[1-hydroxy-2-(methylamino)ethyl]-, (r)-;1,2-benzenediol, 4-[(1r)-1-hydroxy-2-(methylamino)ethyl]-;epinephrine [usan:inn:jan];4-[(1r)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol;epinephrine(inn);benzyl alcohol, 3,4-dihydroxy-alpha-((methylamino)methyl)-, (-)-","c1(O)c(O)cc(C(O)CNC)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["60-33-3","linoleic acid;(9z,12z)-octadeca-9,12-dienoic acid;9,12-octadecadienoic acid;9,12-octadecadienoic acid (z,z)-;9,12-octadecadienoic acid (9z,12z)-;9,12-octadecadienoic acid, (z,z)-;(z,z)-9,12-octadecadienoic acid","C(=O)(O)CCCCCCCC=CCC=CCCCCC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 97","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["60-34-4","methylhydrazine;methyl-hydrazine;methyl hydrazine;n-aminomethylamine (methyl hydrazine);hydrazine, methyl-;monomethylhydrazine;60-34-4","CNN","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - mouse","Nucleophilic addition|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization >> Hydrazine Derivatives|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Hydrazine Derivatives","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Hydrazine","Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity","Nucleophilic addition|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization >> Hydrazine Derivatives|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Hydrazine Derivatives","Hydrazine","H-acceptor-path3-H-acceptor|Hydrazine"]
["60-34-4","methylhydrazine;methyl-hydrazine;methyl hydrazine;n-aminomethylamine (methyl hydrazine);hydrazine, methyl-;monomethylhydrazine;60-34-4","CNN","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - mouse","Nucleophilic addition|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization >> Hydrazine Derivatives|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Hydrazine Derivatives","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Hydrazine","Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity","Nucleophilic addition|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization >> Hydrazine Derivatives|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Hydrazine Derivatives","Hydrazine","H-acceptor-path3-H-acceptor|Hydrazine"]
["86-00-0","2-nitrobiphenyl;2-nitro-1,1'-biphenyl;1,1'-biphenyl, 2-nitro- (9ci)","c1(-c2c(N(=O)=O)cccc2)ccccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro","Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Nitro-aromatic","Nitro-aromatic"]
["90-30-2","1-naphthalenamine, n-phenyl-;1-(n-phenylamino) naphthalene;n-phenyl-1-naphthylamine;phenyl-alpha-naphthylamine;n-1-naphthylaniline;1-naphthylamine, n-phenyl-;n-phenylnaphthalen-1-amine;1-(n-phenylamino)naphthalene;<i>n</i>-phenyl-1-naphthylamine","c1(Nc2ccccc2)c2c(cccc2)ccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["96-31-1","n,n-dimethylurea;urea, n,n'-dimethyl-;dimethylurea, sym;n,n'-dimethylurea;1,3-dimethylurea;urea, n,n’-dimethyl-;urea, 1,3-dimethyl-","C(=O)(NC)NC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["97-63-2","ethyl methacrylate monomer;ethyl methacrylate;methacrylic acid, ethyl ester;2-propenoic acid, 2-methyl-, ethyl ester;2-methyl-2-propenoic acid;et ester","C(=O)(C(=C)C)OCC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated esters","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["102-70-5","2-propen-1-amine, n,n-di-2-propen-1-yl-;trialiylamine;triallylamine;2-propen-1-amine, n,n-di-2-propenyl-;1-diallylaminoprop-2-ene;n,n-di(prop-2-en-1-yl)prop-2-en-1-amine;102-70-5","C(=C)CN(CC=C)CC=C","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","No alert found","No alert found","No alert found","No alert found"]
["103-11-7","acrylic acid, 2-ethylhexylester;mono(2-ethylhexyl) acrylate;2-propenoic acid, 2-ethylhexyl ester;2-ethylhexyl acrylate;octyl acrylate;ethylhexyl acrylate;2-\"\"\";acrylic acid, 2-ethylhexyl ester;2-\";103-11-7","C(=O)(C=C)OCC(CCCC)CC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated esters","Structural alert for nongenotoxic carcinogenicity|Substituted n-alkylcarboxylic acids (Nongenotox)","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["110-26-9","n,n'-methylene-bis-acrylamide;n,n'-methylenebisacrylamide;methylene-bis-acrylamide;n,n'-methylenediacrylamide;2-propenamide, n,n’-methylenebis-;2-propenamide, n,n'-methylenebis-;n,n'-methylenebis-2-propenamide;acrylamide, n,n'-methylenebis-;n,n'-methanediylbisprop-2-enamide;110-26-9;methylene bis-acrylamide","C(=O)(C=C)NCNC(=O)C=C","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 97","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated amides","alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","alpha,beta-unsaturated carbonyls","alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor"]
["110-69-0","butanal oxime;butanal, oxime;butyraldehyde, oxime;butyraldehyde oxime;(1e)-n-hydroxybutan-1-imine","C(CCC)=NO","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","National Cancer Institute","No","with S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,null,"Short-Term Testing Program in the National Cancer Institute (NCI), National Institutes of Health, US Department of Health and Human Services","Source of metabolic system - rat","SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> N-hydroxylamines","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["120-12-7","anthracene;anthraceneoil","c12c(cc3c(cccc3)c1)cccc2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition","Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons"]
["143-07-7","lauric acid;dodecanoic acid;lauric acid  (solid);capric /caprylic/pelargonic/lauric acid mix;lauric acid, pure;143-07-7","C(=O)(O)CCCCCCCCCCC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["143-07-7","lauric acid;dodecanoic acid;lauric acid  (solid);capric /caprylic/pelargonic/lauric acid mix;lauric acid, pure;143-07-7","C(=O)(O)CCCCCCCCCCC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["463-04-7","amyl nitrite;n-amyl nitrite;pentyl nitrite;nitrous acid, pentyl ester","C(CCCC)ON=O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","Radical|Radical >> Radical decomposition|Radical >> Radical decomposition >> Alkylnitrites|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Alkylnitrites|SN1|SN1 >> Nitrosation|SN1 >> Nitrosation >> Alkylnitrites","SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Alkyl nitrates","Alkyl nitrite (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical decomposition|Radical >> Radical decomposition >> Alkylnitrites|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Alkylnitrites|SN1|SN1 >> Nitrosation|SN1 >> Nitrosation >> Alkylnitrites","Alkyl nitrite","Alkyl nitrite|H-acceptor-path3-H-acceptor"]
["613-13-8","2-aminoanthracene;2-anthrylamine;anthracen-2-amine","c12c(cc3c(cc(N)cc3)c1)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","No S9 info","Mutation Research 584 (2005) 1-256","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity",null,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition|SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Polycyclic Aromatic Hydrocarbons (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","Polycyclic Aromatic Hydrocarbons|Primary aromatic amine,hydroxyl amine and its derived esters","Polycyclic Aromatic Hydrocarbons|Primary aromatic amine, hydroxyl amine and its derived esters"]
["613-13-8","2-aminoanthracene;2-anthrylamine;anthracen-2-amine","c12c(cc3c(cc(N)cc3)c1)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition|SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Polycyclic Aromatic Hydrocarbons (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","Polycyclic Aromatic Hydrocarbons|Primary aromatic amine,hydroxyl amine and its derived esters","Polycyclic Aromatic Hydrocarbons|Primary aromatic amine, hydroxyl amine and its derived esters"]
["952-23-8","proflavine hydrochloride;proflavine.hcl hemihydrate;diacridine-3,6-diamine dihydrochloride hydrate","c12c(cc3c(cc(N)cc3)n1)ccc(N)c2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality, Conflict","NO","P&G","No","without S9",null,"TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition|SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","Heterocyclic Polycyclic Aromatic Hydrocarbons|Primary aromatic amine,hydroxyl amine and its derived esters","Heterocyclic Polycyclic Aromatic Hydrocarbons|Primary aromatic amine, hydroxyl amine and its derived esters"]
["2475-46-9","c.i. disperse blue 3;disperse blue 3;9,10-anthracenedione, 1,4-diamino-, n,n'-mixed 2-hydroxyethyl and methyl derivatives;anthraquinone disperse blue 3 ci no. 61505;9,10-anthracenedione, 1- (2-hydroxyethyl)amino -4-(methylamino)-;c. i. disperse blue 3;9,10anthracenedione,1[(2hydroxyethyl)amino]4(methylamino),anditsderivativesandsalts,whenusedas a substanceinhairdye products","c12C(=O)c3c(C(=O)c1c(NC)ccc2NCCO)cccc3","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Secondary aromatic amine","Aromatic mono-and dialkylamine (Genotox)|Quinones (Genotox)|Structural alert for genotoxic carcinogenicity","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones","Aromatic mono-and dialkylamine|Quinones","Aromatic mono- and dialkylamine|H-acceptor-path3-H-acceptor|Quinones"]
["3524-68-3","pentaerythritol triacrylate;2-propenoic acid, 1,1'-[2-(hydroxymethyl)-2-[[(1-oxo-2-propen-1-yl)oxy]methyl]-1,3-propanediyl] ester;pentaerythrityl triacrylate;2-propenoic acid, 2-(hydroxymethyl)-2-  (1-oxo-2-propenyl)oxy methyl -1,3-propanediyl ester;2-(hydroxymethyl)-2-[[(1-oxoallyl)oxy]methyl]-1,3-propanediyl diacrylate;2-propenoic acid, 2-(hydroxymethyl)-2-[[(1-oxo-2-propenyl)oxy]methyl]-1,3-propanediyl ester;2-propenoic acid, 2-(hydroxymethyl)-2- (1-oxo-2-propenyl)oxy methyl -1,3-propanediyl ester;acrylic acid, triester with pentaerythritol;2-propenoic acid, 2-(hydroxymethyl)-2-ХХ(1-oxo-2-propenyl)oxyеmethylе-1,3-propanediyl ester;3-(acryloyloxy)-2-[(acryloyloxy)methyl]-2-(hydroxymethyl)propyl acrylate;2-propenoic acid, 1,1'-[2-(hydroxymethyl)-2-[[(1-oxo-2-propen-1-yl)oxy]methyl]-1,3-pr;2-propenoic acid, 2-(hydroxymethyl)-2-(((1-oxo-2-propenyl)oxy)methyl)-1,3-propanediyl ester","C(=O)(C=C)OCC(COC(=O)C=C)(COC(=O)C=C)CO","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 97","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated esters","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["6098-44-8","n-acetoxy-2-acetylaminofluorene;acetamide, n-(acetoxy)-n-9h-fluoren-2-yl- (9ci)","c12-c3c(cc(N(C(C)=O)OC(C)=O)cc3)Cc1cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"SN2|SN2 >> SN2 at Nitrogen Atom|SN2 >> SN2 at Nitrogen Atom >> N-acetoxyamines","No alert found","Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","SN2|SN2 >> SN2 at Nitrogen Atom|SN2 >> SN2 at Nitrogen Atom >> N-acetoxyamines","Polycyclic Aromatic Hydrocarbons","H-acceptor-path3-H-acceptor|Polycyclic Aromatic Hydrocarbons"]
["7700-17-6","crotoxyphos;1-phenylethyl (2e)-3-[(dimethoxyphosphoryl)oxy]but-2-enoate;2-butenoic acid, 3-((dimethoxyphosphinyl)oxy)-, 1-phenylethyl ester, (e)- (9ci)","C(=O)(C=C(C)OP(=O)(OC)OC)OC(C)c1ccccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes","Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid (Genotox)|Structural alert for genotoxic carcinogenicity","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates","Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid","Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid|H-acceptor-path3-H-acceptor"]
["16238-56-5","7-(bromomethyl)-12-methylbenz[a]anthracene;7-bromomethyl-12-methylbenz(a)anthracene;benz(a)anthracene, 7-(bromomethyl)-12-methyl-","c12c(c3c(C)c4c(c(CBr)c3cc1)cccc4)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition|SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1|SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides","Aliphatic halogens (Genotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","Aliphatic halogens|Polycyclic Aromatic Hydrocarbons","Aliphatic halogen|Polycyclic Aromatic Hydrocarbons"]
["21739-91-3","cytembena;sodium (2e)-3-bromo-4-(4-methoxyphenyl)-4-oxobut-2-enoate","C(Br)(C(=O)c1ccc(OC)cc1)=CC(=O)O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality, Conflict","NO","P&G","No","without S9",null,"TA 97","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives","No alert found","Alkylbenzenes (Genotox)|alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity","SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives","alpha,beta-unsaturated carbonyls","alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor"]
["71-58-9","medroxyprogesterone acetate;medroxyprogesterone acetate [jan];pregn-4-ene-3,20-dione, 17-(acetyloxy)-6-methyl-, (6?)-;medroxyprogesterone acetate (mpa);pregn-4-ene-3,20-dione, 17-(acetyloxy)-6-methyl-, (6.alpha.)-;(6alpha)-6-methyl-3,20-dioxopregn-4-en-17-yl acetate;6.alpha.-methyl-17.alpha.-acetoxyprogesterone;pregn-4-ene-3,20-dione, 17-hydroxy-6alpha-methyl-, acetate (8ci)","C(C)(=O)C1(OC(C)=O)C2(C)C(C3C(C4(C)C(C(C)C3)=CC(=O)CC4)CC2)CC1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Specific Acetate Esters|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Specific Acetate Esters|SN2|SN2 >> Acylating agents|SN2 >> Acylating agents >> Specific Acetate Esters|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Specific Acetate Esters","No alert found","alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","alpha,beta-unsaturated carbonyls","alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor"]
["77-73-6","4,7-methano-1h-indene, 3a,4,7,7a-tetrahydro-;dicyclopentadiene;3a,4,7,7a-tetrahydro-4,7-methanoindene;3a,4,7,7a-tetrahydro-4,7-methano-1h-indene;4,7-methanoindene, 3a,4,7,7a-tetrahydro-;3a,4,7,7a-tetrahydro-1h-4,7-methanoindene","C1C2C(C3C=CC2C3)CC=1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["79-94-7","phenol, 4,4'-(1-methylethylidene)bis[2,6-dibromo-;tetrabromobisphenol-a;3,3',5,5'-tetrabromobisphenol a;2,2-bis(4-hydroxy-3,5-dibromophenyl)propane;4,4'-isopropylidenebis (2,6-dibromophenol);4,4'-isopropylidenebis(2,6-dibromophenol);phenol, 4,4 -(1-methylethylidene)bis[2,6-dibromo-;tetrabromobisphenol a;3,3',5,5'-tetrabromo bisphenol a;2,2',6,6'-tetrabromo-4,4'-isopropylidenediphenol;phenol, 4,4’-(1-methylethylidene)bis[2,6-dibromo-;4,4'-(1-methylethylidene)bis[2,6-dibromophenol];phenol, 4,4'-(1-methylethylidene)bis 2,6-dibromo-;phenol, 4,4'-isopropylidenebisХ2,6-dibromo-;phenol, 4,4'-(1-methylethylidene)bisХ2,6-dibromo-;4,4'-propane-2,2-diylbis(2,6-dibromophenol);4,4'-(methylethylidene)bis[2,6-dibromophenol];4,4’-isopropylidenebis(2,6-dibromophenol);2,2-bis(4''-hydroxy-3'',5''-dibromophenyl) propane;phenol, 4,4'-isopropylidenebis(2,6-dibromo- (8ci);2,2-bis (4'-hydroxy-3',5'-dibromophenyl)propane","c1(C(C)(C)c2cc(Br)c(O)c(Br)c2)cc(Br)c(O)c(Br)c1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 97","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["84-75-3","dihexyl phthalate;di(n-hexyl)phthalate;di-n-hexyl phthalate;1,2-benzenedicarboxylic acid, dihexyl ester;di-n-hexylphthalate;phthalic acid, dihexyl ester;dihexyl benzene-1,2-dicarboxylate;1,2-benzenedicarboxylic acid dihexyl ester","C(=O)(c1c(C(=O)OCCCCCC)cccc1)OCCCCCC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","No alert found","Phtalate (or buthyl) diesters and monoesters (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["87-82-1","benzene, 1,2,3,4,5,6-hexabromo-;hexabromobenzene;benzene, hexabromo-","c1(Br)c(Br)c(Br)c(Br)c(Br)c1Br","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["94-96-2","2-ethyl-1,3-hexanediol;2-ethyl-1,3-hexandiol;1,3-hexanediol, 2-ethyl-;2-ethylhexane-1,3-diol;ethohexadiol","C(C(O)CCC)(CC)CO","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","National Cancer Institute","No","with S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,null,"Short-Term Testing Program in the National Cancer Institute (NCI), National Institutes of Health, US Department of Health and Human Services","Source of metabolic system - rat","No alert found","No alert found","Structural alert for nongenotoxic carcinogenicity|Substituted n-alkylcarboxylic acids (Nongenotox)","No alert found","No alert found","No alert found"]
["95-77-2","phenol, 3,4-dichloro-;3,4-dichlorophenol;dichlorophenol, 3,4-;3,4-dichloro-phenol","c1(Cl)c(Cl)cc(O)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["108-43-0","phenol, 3-chloro-;3-chlorophenol;chlorophenol, 3-;3-chloro-phenol;m-chlorophenol;m-chloro-phenol;phenol, m-chloro-;108-43-0","c1(Cl)cc(O)ccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","No alert found","Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","No alert found"]
["491-70-3","luteolin;2-(3,4-dihydroxy-phenyl)-5,7-dihydroxy-chromen-4-one;flavone, 3',4',5,7-tetrahydroxy-;2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-benzopyrone;2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4h-chromen-4-one","C1(=O)c2c(O)cc(O)cc2OC(c2cc(O)c(O)cc2)=C1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["591-35-5","phenol, 3,5-dichloro-;3,5-dichlorophenol;dichlorophenol, 3,5-;3,5-dichloro-phenol","c1(Cl)cc(Cl)cc(O)c1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["1689-82-3","4-phenylazophenol;4-hydroxyazobenzene;p-phenylazophenol;phenol, 4-(phenylazo)-;4-[(e)-phenyldiazenyl]phenol;c.i. solvent yellow 7 (8ci)","c1(O)ccc(N=Nc2ccccc2)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"No alert found","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic azo","Aromatic diazo (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Aromatic diazo","Aromatic diazo|H-acceptor-path3-H-acceptor"]
["3319-31-1","1,2,4-benzenetricarboxylic acid, 1,2,4-tris(2-ethylhexyl) ester;tris(2-ethylhexyl) trimellitate;1,2,4-benzenetricarboxylic acid tris(2-ethylhexyl) ester;1,2,4-benzenetricarboxylic acid, tris(2-ethylhexyl) ester;tris(2-ethylhexyl)trimellitate;tris(2-ethylhexyl)benzene-1,2,4-tricarboxylate;tris(2-ethylhexyl) 1,2,4-benzenetricarboxylate;tris(2-ethylhexyl) benzene-1,2,4-tricarboxylate;tris(2-ethylhexyl) benzenetricarboxylate","C(=O)(c1c(C(=O)OCC(CCCC)CC)cc(C(=O)OCC(CCCC)CC)cc1)OCC(CCCC)CC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","No alert found","Phtalate (or buthyl) diesters and monoesters (Nongenotox)|Structural alert for nongenotoxic carcinogenicity|Substituted n-alkylcarboxylic acids (Nongenotox)","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["6088-51-3","6-hydroxy-2-naphthyl disulfide;6-hydroxy-2-napthyl disulfide;6-hydroxy-2-naphthyl disulfide (ddd);6,6'-dithiodi-2-naphthol;2-naphthalenol, 6,6'-dithiobis-;6,6'-disulfanediyldinaphthalen-2-ol;2-naphthol, 6,6'-dithiodi-;2-naphthol, 6,6'-dithiodi- (8ci)","c12c(cc(O)cc1)ccc(SSc1cc3c(cc(O)cc3)cc1)c2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["56-18-8","3,3'-iminobis(propylamine);n%1&-(3-amino-propyl)-propane-1,3-diamine;1,3-propanediamine, n-(3-aminopropyl)-;iminobis-3-isopropylamine;3,3'-iminodi(propylamine);dipropylamine, 3,3'-diamino-;n-(3-aminopropyl)propane-1,3-diamine;3,3'-diaminodipropylamine","C(N)CCNCCCN","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["75-31-0","isopropylamine;2-aminopropane;mono-isopropylamine;2-amino-propane;2-propanamine;2-propylamine;propan-2-amine;isopropyl amine","C(C)(C)N","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["75-36-5","acetyl chloride;acetylchloride;75-36-5","C(C)(=O)Cl","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","Acylation|Acylation >> Direct Addition of an Acyl Halide|Acylation >> Direct Addition of an Acyl Halide >> Acyl halide","Acyl halides (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Acyl halides","Acyl halides"]
["75-91-2","hydroperoxide, 1,1-dimethylethyl;tert-butyl hydroperoxide;2-methyl-prop-2-yl-hydroperoxide;tert-butylhydroperoxide;1,1-dimethylethyl hydroperoxide;t-butyl-hydroperoxide;75-91-2","C(C)(C)(C)OO","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Organic Peroxy Compounds","No alert found","No alert found","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Organic Peroxy Compounds","No alert found","H-acceptor-path3-H-acceptor"]
["79-21-0","peracetic acid;ethaneperoxoic acid;peroxyacetic acid;peroxy acetic acid;peracetic acid/hydrogen peroxide (proxitane);79-21-0","C(C)(=O)OO","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["86-26-0","1,1'-biphenyl, 2-methoxy-;biphenyl-2-yl methyl ether;1,1’-biphenyl, 2-methoxy-;anisole, o-phenyl-;2-methoxybiphenyl;86-26-0","c1(-c2c(OC)cccc2)ccccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"No alert found","No alert found","o-phenylphenol (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","No alert found"]
["86-26-0","1,1'-biphenyl, 2-methoxy-;biphenyl-2-yl methyl ether;1,1’-biphenyl, 2-methoxy-;anisole, o-phenyl-;2-methoxybiphenyl;86-26-0","c1(-c2c(OC)cccc2)ccccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"No alert found","No alert found","o-phenylphenol (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","No alert found"]
["97-42-7","carvyl acetate;p-mentha-1(6),8-dien-2-yl acetate;2-cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-, acetate;2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-yl acetate;2-cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-, 1-acetate","C(=C)(C)C1CC(OC(C)=O)C(C)=CC1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 97","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Specific Acetate Esters|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Specific Acetate Esters|SN2|SN2 >> Acylating agents|SN2 >> Acylating agents >> Specific Acetate Esters|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Specific Acetate Esters","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["97-54-1","isoeugenol (2-methoxy-4-propenylphenol);isoeugenol;2-methoxy-4-((z)-propenyl)-phenol;2-methoxy-4-(1-propenyl)phenol;iso eugenol;2-methoxy-4-(1-propenyl)-phenol;phenol, 2-methoxy-4-(1-propenyl)-;2-methoxy-4-[(1e)-prop-1-en-1-yl]phenol;97-54-1;iso-eugenol;2-methoxy-4-1-(propenyl)phenol","c1(O)c(OC)cc(C=CC)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["98-51-1","4-tert-butyltoluene;butyltoluene, 4-tert-;p-tert-butyltoluene;benzene, 1-(1,1-dimethylethyl)-4-methyl-;p-(t-butyl)toluene;1-tert butyl-4-methyl benzene;4-t-butyltoluene;1-(1,1-dimethylethyl)-4-methylbenzene;toluene, p-tert-butyl-;1-tert-butyl-4-methylbenzene;tributyltin(iv) chloride (tbt);benzene, 1-methyl-4-(1,1-dimethylethyl)- (9ci);98-51-1;1-<i>tert</i>-butyl-4-methylbenzene","C(C)(C)(C)c1ccc(C)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes","No alert found","No alert found","No alert found","No alert found"]
["103-50-4","benzene, 1,1'-[oxybis(methylene)]bis-;dibenzylether;1,1-(oxybis(methylene))bisbenzene;dibenzyl ether;benzene, 1,1 -[oxybis(methylene)]bis-;1,1-oxybismethylene, bis benzene;benzene, 1,1’-[oxybis(methylene)]bis-;1,1-oxybis methylene, bis benzene;benzyl ether;benzene, 1,1'- oxybis(methylene) bis-;benzene, 1,1'-Хoxybis(methylene)еbis-;1,1'-(oxydimethanediyl)dibenzene;1,1'-[oxybis(methylene)]dibenzene;benzene, 1,1'-(oxybis(methylene))bis-;103-50-4","c1(COCc2ccccc2)ccccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes","No alert found","No alert found","No alert found","No alert found"]
["104-67-6","gamma-undecalactone;2(3h)-furanone, 5-heptyldihydro-;undecalactone, gamma-;undecan-4-olide;undecanoic acid, 4-hydroxy-, .gamma.-lactone;5-heptyldihydrofuran-2(3h)-one;5-heptyldihydro-2(3h)furanone;furanone mix (122301/122302) with d limonene;5-heptyldihydro-2(3h)-furanone;undecanoic acid, 4-hydroxy-, gamma-lactone;104-67-6","C1(=O)CCC(CCCCCCC)O1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"Michael addition|Michael addition >> alpha, beta-unsaturated carabonyl compounds|Michael addition >> alpha, beta-unsaturated carabonyl compounds >> Four- and Five-Membered Lactones|SN2|SN2 >> Ring opening SN2 reaction|SN2 >> Ring opening SN2 reaction >> Four- and Five-Membered Lactones","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor|Oxolane"]
["108-09-8","1,3-dimethylbutylamine;2-pentanamine, 4-methyl-;butylamine, 1,3-dimethyl-;4-methylpentan-2-amine","C(C)(N)CC(C)C","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 97","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["108-70-3","1,3,5-trichlorobenzene;trichlorobenzene, 1,3,5-;1,3,5-tri-chlorobenzene;benzene, 1,3,5-trichloro-;108-70-3","c1(Cl)cc(Cl)cc(Cl)c1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["109-55-7","3-(dimethylamino)propylamine;n%1&,n%1&-dimethyl-propane-1,3-diamine;1,3-propanediamine, n,n-dimethyl-;3-dimethylaminopropylamine;3-aminopropyldimethylamine;n,n-dimethylpropane-1,3-diamine","C(N)CCN(C)C","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","No alert found","No alert found","No alert found","No alert found"]
["109-83-1","2-methylamino-ethanol;n-methylethanolamine;ethanol, 2-(methylamino)-;2-(methylamino)ethanol;n-methyl ethanolamine;2-methylaminoethanol;2-aminoethanol;n-methylaminoethanol;109-83-1;<i>n</i>-me","C(O)CNC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","Schiff base formers|Schiff base formers >> Chemicals Activated by P450 to Glyoxal |Schiff base formers >> Chemicals Activated by P450 to Glyoxal  >> Ethanolamines (including morpholine)","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["111-14-8","heptanoic acid;n-heptanoic acid;enanthic acid;111-14-8;enanthoic acid (heptanoic acid)","C(=O)(O)CCCCCC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 97","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["111-40-0","1,2-ethanediamine, n1-(2-aminoethyl)-;bis (2-aminoethyl) amine;diethylenetriamine;n%1&-(2-amino-ethyl)-ethane-1,2-diamine;1,2-ethanediamine, n-(2-aminoethyl)-;n*1*-(2-amino-ethyl)-ethane-1,2-diamine\"\";diethylenetriamine\";2,2'-iminodi(ethylamine);diethylene triamine;n-(2-aminoethyl)ethane-1,2-diamine;n-(2-aminoethyl)-1,2-ethanediamine;bis(2-aminoethyl)amine;n*1*-(2-amino-ethyl)-ethane-1,2-diamine\"","C(N)CNCCN","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 97","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","Schiff base formers|Schiff base formers >> Chemicals Activated by P450 to Glyoxal |Schiff base formers >> Chemicals Activated by P450 to Glyoxal  >> Ethylenediamines (including piperazine)","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["117-84-0","phthalic acid, di-n-octylester (dop);dioctyl phthalate;1,2-benzenedicarboxylic acid, 1,2-dioctyl ester;bis(n-octyl) phthalate;di-octyl phthalate;1,2-benzenedicarboxylic acid, dioctyl ester;di-n-octyl phthalate;phthalic acid, dioctyl estervan;dioctyl benzene-1,2-dicarboxylate;di-n-octylphthalate","C(=O)(c1c(C(=O)OCCCCCCCC)cccc1)OCCCCCCCC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","No alert found","Phtalate (or buthyl) diesters and monoesters (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["118-91-2","benzoic acid, 2-chloro-;o-chloro benzoic acid;o-chlorobenzoic acid;2-chloro-benzoic acid;2-chlorobenzoic acid","C(=O)(O)c1c(Cl)cccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","No alert found","Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["121-89-1","3'-nitroacetophenone;m-nitroacetophenone;3-nitroacetophenone;ethanone, 1-(3-nitrophenyl)-;acetophenone, 3'-nitro-;1-(3-nitrophenyl)ethanone;121-89-1","C(C)(=O)c1cc(N(=O)=O)ccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro","Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","Nitro-aromatic","Nitro-aromatic"]
["126-99-8","chloroprene;chloroprene (>96% chloroprene);chloroprene (99.6% chloroprene);2-chloro-1,3 butadiene (chloroprene);2-chlorobuta-1,3-diene;1,3-butadiene, 2-chloro-;chloroprene(stabilized);(2chlorobuta1,3diene)","C(=C)(Cl)C=C","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 97","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["129-79-3","2,4,7-trinitrofluoren-9-one;9h-fluoren-9-one, 2,4,7-trinitro-;2,4,7-trinitro-fluoren-9-one;fluoren-9-one, 2,4,7-trinitro-;2,4,7-trinitro-9h-fluoren-9-one;trinitrofluorenone","c12C(=O)c3c(c(N(=O)=O)cc(N(=O)=O)c3)-c1ccc(N(=O)=O)c2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","National Cancer Institute","No","without S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,null,"Short-Term Testing Program in the National Cancer Institute (NCI), National Institutes of Health, US Department of Health and Human Services",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro","Nitro-aromatic (Genotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","Nitro-aromatic|Polycyclic Aromatic Hydrocarbons","Nitro-aromatic|Polycyclic Aromatic Hydrocarbons"]
["142-84-7","dipropylamine;dipropyl-amine;di-n-propylamine;1-propylaminopropane;1-propanamine, n-propyl-;n-propylpropan-1-amine;142-84-7","C(CC)NCCC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["144-62-7","oxalic acid;ethanedioic acid;144-62-7","C(=O)(O)C(=O)O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 97","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["540-73-8","1,2-dimethylhydrazine dihydrochloride;1,2-dimethylhydrazine;hydrazine, 1,2-dimethyl-;540-73-8","CNNC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Moderate Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"No alert found","No alert found","Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Hydrazine","H-acceptor-path3-H-acceptor|Hydrazine"]
["594-42-3","perchloromethyl mercaptan;methanesulfenyl chloride, trichloro-;trichloromethanesulphenyl chloride;trichloromethanesulfenyl chloride;594-42-3","C(Cl)(Cl)(Cl)SCl","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Hansen K. et al.","No","No S9 info","J. Chem. Inf. Model., 2009, 49 (9), pp 2077–2081","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",2009,"No information for Salmonella thyphimurium strain and S9 metabolic activation",null,null,"Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes","No alert found","Alkyl halides (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes","No alert found","No alert found"]
["930-37-0","methyl glycidyl ether;oxirane, (methoxymethyl)-;(methoxymethyl)oxirane;propane, 1,2-epoxy-3-methoxy-;2-(methoxymethyl)oxirane;denacol ex-131;930-37-0","C1(COC)CO1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","N/A","YES","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines","SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides","Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines","Epoxides and aziridines","Epoxides and aziridines|H-acceptor-path3-H-acceptor"]
["1854-26-8","dimethyloldihydroxyethylene urea;4,5-dihydroxy-1,3-bis(hydroxymethyl)imidazolidin-2-one;2-imidazolidinone, 4,5-dihydroxy-1,3-bis(hydroxymethyl)-;dimethylol dihydroxyethylene urea","C1(=O)N(CO)C(O)C(O)N1CO","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives","SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","N-methylol derivatives (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","N-methylol derivatives","H-acceptor-path3-H-acceptor|N-methylol derivatives"]
["2177-18-6","acrylic acid vinyl ester;vinyl acrylate;acrylic acid, vinyl ester (6ci,7ci,8ci);ethenyl prop-2-enoate;2177-18-6","C(=O)(C=C)OC=C","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"No alert found","Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated esters","alpha,beta-unsaturated aliphatic alkoxy group (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","alpha,beta-unsaturated aliphatic alkoxy group","alpha,beta-unsaturated aliphatic alkoxy group|H-acceptor-path3-H-acceptor"]
["2244-21-5","potassium dichlorocyanuric acid;1,3,5-triazine-2,4,6(1h,3h,5h)-trione, 1,3-dichloro-, potassium salt;1,3-dichloro-1,3,5-triazinane-2,4,6-trione;potassium dichloro-s-triazinetriene;potassium dichloroisocyanurate;potassium dichloroisocyanurate (acl 59)","C1(=O)N(Cl)C(=O)N(Cl)C(=O)N1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Moderate Quality, Conflict","NO","P&G","No","without S9",null,"TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["10213-75-9","3-((2-ethylhexyl)oxy)propionitrile;3-((2-ethylhexyl)-oxy)propionitrile;3-[(2-ethylhexyl)oxy]propiononitrile;3-((ethylhexyl)oxy)propionitrile;propanenitrile, 3-[(2-ethylhexyl)oxy]-;propanenitrile, 3- (2-ethylhexyl)oxy -;propionitrile, 3-Х(2-ethylhexyl)oxyе-;propanenitrile, 3-Х(2-ethylhexyl)oxyе-;3-[(2-ethylhexyl)oxy]propanenitrile;propanenitrile, 3-((2-ethylhexyl)oxy)-;10213-75-9","C(#N)CCOCC(CCCC)CC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","No alert found","Structural alert for nongenotoxic carcinogenicity|Substituted n-alkylcarboxylic acids (Nongenotox)","No alert found","No alert found","No alert found"]
["101-68-8","benzene, 1,1'-methylenebis[4-isocyanato-;4,4'-methylenediphenyl diisocyanate;diphenyl methane diisocyanate;4,4'-diphenylmethane diisocyanate;diphenylmethane diisocyanate (mdi);benzene, 1,1'-methylenebis 4-isocyanato-;benzene, 1,1’-methylenebis[4-isocyanato-;isocyanic acid, methylenedi-p-phenylene ester;benzene, 1,1'-methylenebisХ4-isocyanato-;1,1'-methanediylbis(4-isocyanatobenzene);1,1'-methylenebis[4-isocyanato]benzene;1,1'-methylenebis(4-isocyanatobenzene);101-68-8","c1(N=C=O)ccc(Cc2ccc(N=C=O)cc2)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","Acylation|Acylation >> Isocyanates and Isothiocyanates|Acylation >> Isocyanates and Isothiocyanates >> Isocyanates","Isocyanate and isothiocyanate groups (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Isocyanate and isothiocyanate groups|Primary aromatic amine,hydroxyl amine and its derived esters","Isocyanate and isothiocyanate groups|Primary aromatic amine, hydroxyl amine and its derived esters"]
["108-31-6","maleic anhydride;2,5-furandione;malic anhydride;furan-2,5-dione;108-31-6","C1(=O)C=CC(=O)O1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","No alert found","alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","alpha,beta-unsaturated carbonyls","alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor"]
["123-77-3","1,2-diazenedicarboxamide;azodicarbonamide;diazenedicarboxamide;azodicarboxamide;c,c'-azodi(formamide);formamide, 1,1'-azobis-;(e)-diazene-1,2-dicarboxamide;1,1'-azobisformamide;diazene-1,2-dicarboxamide","C(N)(=O)N=NC(N)=O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","National Cancer Institute","No","with S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,null,"Short-Term Testing Program in the National Cancer Institute (NCI), National Institutes of Health, US Department of Health and Human Services","Source of metabolic system - rat","SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives","Michael addition|Michael addition >> Polarised Azo Compounds|Michael addition >> Polarised Azo Compounds >> Azocarbonamides","Aliphatic azo and azoxy (Genotox)|Structural alert for genotoxic carcinogenicity","SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives","Aliphatic azo and azoxy","Aliphatic azo and azoxy|H-acceptor-path3-H-acceptor"]
["555-30-6","methyl dopa;(s)-2-amino-3-(3,4-dihydroxy-phenyl)-2-methyl-propionic acid;methyldopa;2-methyl-3-(3,4-dihydroxyphenyl)-l-alanine;l-tyrosine, 3-hydroxy-?-methyl-;l-tyrosine, 3-hydroxy-.alpha.-methyl-;methyldopa anhydrous;3-hydroxy-n-methyltyrosine;alanine, 3-(3,4-dihydroxyphenyl)-2-methyl-, l-(-)-;555-30-6","C(=O)(O)C(C)(N)Cc1cc(O)c(O)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Alkyl phenols|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["3173-72-6","1,5-naphthylene diisocyanate;1,5-naphthylene di-isocyanate;naphthalene, 1,5-diisocyanato-;isocyanic acid, 1,5-naphthylene ester\"\"\";isocyanic acid, 1,5-naphthylene ester;1,5-diisocyanatonaphthalene","c1(N=C=O)c2c(c(N=C=O)ccc2)ccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Hansen K. et al.","No","No S9 info","J. Chem. Inf. Model., 2009, 49 (9), pp 2077–2081","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",2009,"No information for Salmonella thyphimurium strain and S9 metabolic activation",null,null,"No alert found","Acylation|Acylation >> Isocyanates and Isothiocyanates|Acylation >> Isocyanates and Isothiocyanates >> Isocyanates","Isocyanate and isothiocyanate groups (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Isocyanate and isothiocyanate groups|Primary aromatic amine,hydroxyl amine and its derived esters","Isocyanate and isothiocyanate groups|Primary aromatic amine, hydroxyl amine and its derived esters"]
["58-55-9","theophylline;theophyllin;theophilline;1h-purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-;1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione","C1(=O)C2=C(N(C)C(=O)N1C)NC=N2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives","SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","Imidazole, benzimidazole (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["154-93-8","n,n'-bis(2-chloroethyl)-n-nitrosourea;carmustine;1,3-bis(2-chloroet)-1-nitrosourea;urea, n,n'-bis(2-chloroethyl)-n-nitroso-;1,3-bis(2-chloroethyl)-1-nitrosourea;154-93-8","C(=O)(N(CCCl)N=O)NCCCl","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives|SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Nitrogen Mustards","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> Mustards|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2","Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives","Alkyl and aryl N-nitroso groups","Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor"]
["72-20-8","2,7:3,6-dimethanonaphth[2,3-b]oxirene, 3,4,5,6,9,9-hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-, (1ar,2r,2ar,3r,6s,6as,7s,7as)-rel-;endrin;3,4,5,6,9,9-hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-2,7:3,6-dimethanonaphtho[2,3-b]oxirene;2,7:3,6-dimethanonaphth[2,3-b]oxirene, 3,4,5,6,9,9-hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-, (1a.alpha.,2.beta.,2a.beta.,3.alpha.,6.alpha.,6a.beta.,7.beta.,7a.alpha.)-;(1r,4s,5r,8s)1,2,3,4,10,10hexachloro6,7epoxy1,4,4a,5,6,7,8,8aoctahydro1,4:5,8dimethanonaphthalene(endriniso);3,4,5,6,9,9-hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-[2,7:3,6-dimethanonaphth[2,3-b]oxirene,[1a alpha,2 beta,2a beta,3 alpha,6 alpha,6a beta,7 beta,7a alpha];endrin (cancelled in u.s.);endrin/methyl parathion ec formulation;2,7:3,6-dimethanonaphth(2,3-b)oxirene, 3,4,5,6,9,9-hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-, (1aalpha,2beta,2abeta,3alpha,6alpha,6abeta,7beta,7aalpha)-","C12(Cl)C(Cl)(Cl)C(Cl)(C(Cl)=C1Cl)C1C3C4C(C(C21)C3)O4","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation >> Vicinal Dihaloalkanes|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives","SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides","(Poly) Halogenated Cycloalkanes (Nongenotox)|Epoxides and aziridines (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives","Epoxides and aziridines","Epoxides and aziridines"]
["90-41-5","[1,1'-biphenyl]-2-amine;2-aminobiphenyl (2-phenylaniline);2-aminobiphenyl;biphenyl-2-ylamine;o-aminobiphenyl;2-biphenylamine hydrochloride;2-biphenylamine;1,1'-biphenyl -2-amine;Х1,1'-biphenylе-2-amine;biphenyl-2-amine;biphenyl2ylamine;(1,1'-biphenyl)-2-amine","c1(-c2c(N)cccc2)ccccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Primary aromatic amine,hydroxyl amine and its derived esters","Primary aromatic amine, hydroxyl amine and its derived esters"]
["92-93-3","4-nitrobiphenyl;p-nitrobiphenyl;4-nitro-biphenyl;1,1'-biphenyl, 4-nitro-;4nitrobiphenyl","c1(-c2ccc(N(=O)=O)cc2)ccccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro","Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","Nitro-aromatic","Nitro-aromatic"]
["119-65-3","isoquinoline;119-65-3","c12c(cccc1)ccnc2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["253-52-1","phthalazine","c12c(cccc1)cnnc2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","National Cancer Institute","No","with S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,null,"Short-Term Testing Program in the National Cancer Institute (NCI), National Institutes of Health, US Department of Health and Human Services","Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["491-35-0","4-methylquinoline;4-methyl-quinoline;van;quinoline, 4-methyl-;lepidine","c1(C)c2c(cccc2)ncc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["1165-39-5","aflatoxin g1;(7ar,cis)3,4,7a,10a-tetrahydro-5-methoxy-1h,12h-furo[3',2':4,5]furo[2,3-h]pyrano[3,4-c]chromene-1,12-dione;5-methoxy-3,4,7a,10a-tetrahydro-1h,12h-furo[3',2':4,5]furo[2,3-h]pyrano[3,4-c]chromene-1,12-dione;1h,12h-furo(3',2':4,5)furo(2,3-h)pyrano(3,4-c)(1)benzopyran-1,12-dione, 3,4,7a,10a-tetrahydro-5-methoxy-, (7ar,10as)-;aflatoxin g<sub>1</sub>","C1(=O)C2C(=O)Oc3c4c(cc(OC)c3C=2CCO1)OC1C4C=CO1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","Radical|Radical >> Generation of reactive oxygen species|Radical >> Generation of reactive oxygen species >> Coumarins|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Coumarins","No alert found","Coumarins and Furocoumarins (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Coumarins and Furocoumarins","1,3-dialkoxy-benzene|Coumarins and Furocoumarins|H-acceptor-path3-H-acceptor"]
["2642-98-0","6-aminochrysene;chrysen-6-ylamine;chrysen-6-amine","c1(N)c2c(c3c(c4c(cccc4)cc3)c1)cccc2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Polycyclic Aromatic Hydrocarbons (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons|Primary aromatic amine,hydroxyl amine and its derived esters","Polycyclic Aromatic Hydrocarbons|Primary aromatic amine, hydroxyl amine and its derived esters"]
["3731-39-3","2'-methyl-4-dimethylaminoazobenzene;n,n-dimethyl-4-(o-tolylazo)aniline;2'-methyl-4-dimethylaminobenzene;n,n-dimethyl-4-[(2-methylphenyl)diazenyl]aniline;benzenamine, n,n-dimethyl-4-((2-methylphenyl)azo)- (9ci)","c1(N=Nc2ccc(N(C)C)cc2)c(C)cccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic azo|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine","Aromatic diazo (Genotox)|Aromatic mono-and dialkylamine (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Aromatic diazo|Aromatic mono-and dialkylamine","Aromatic diazo|Aromatic mono- and dialkylamine|H-acceptor-path3-H-acceptor"]
["13674-84-5","2-propanol, 1-chloro-, 2,2',2''-phosphate;tris( 1-chloro-2-propyl) phosphate;tris(1-chloro-2-propyl)phosphate;2-propanol, 1-chloro-, phosphate (3:1);tris(2-chloro-1-methylethyl) phosphate;tris(1-chloropropan-2-yl) phosphate;phosphoric acid, tris(2-chloro-1-methylethyl) ester;13674-84-5","C(C)(CCl)OP(=O)(OC(C)CCl)OC(C)CCl","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates","SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides","Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid (Genotox)|Structural alert for genotoxic carcinogenicity","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates","Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid","Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid|H-acceptor-path3-H-acceptor"]
["13674-84-5","2-propanol, 1-chloro-, 2,2',2''-phosphate;tris( 1-chloro-2-propyl) phosphate;tris(1-chloro-2-propyl)phosphate;2-propanol, 1-chloro-, phosphate (3:1);tris(2-chloro-1-methylethyl) phosphate;tris(1-chloropropan-2-yl) phosphate;phosphoric acid, tris(2-chloro-1-methylethyl) ester;13674-84-5","C(C)(CCl)OP(=O)(OC(C)CCl)OC(C)CCl","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates","SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides","Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid (Genotox)|Structural alert for genotoxic carcinogenicity","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates","Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid","Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid|H-acceptor-path3-H-acceptor"]
["16543-55-8","n'-nitrosonornicotine;3-(1-nitroso-2-pyrrolidinyl)pyridine;n-nitrosonornicotine;3-(2-pyrrolidinyl)pyridine;(<i>s</i>)-form, <i>n</i>'-nitroso","c1(C2CCCN2N=O)cccnc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Moderate Quality","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2","Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","Alkyl and aryl N-nitroso groups","Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor"]
["70458-96-7","norfloxacin;1-ethyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,4-dihydro-quinoline-3-carboxylic acid;3-quinolinecarboxylic acid, 1-ethyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-;1-ethyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid;1-ethyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-3-quinoline carboxylic acid","C(=O)(O)C1C(=O)c2c(cc(N3CCNCC3)c(F)c2)N(CC)C=1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"No alert found","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine","alpha,beta-unsaturated carbonyls (Genotox)|Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity|Structural alerts for both genotoxic and nongenotoxic carcinogenicity","No alert found","alpha,beta-unsaturated carbonyls","alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor"]
["105-59-9","n-methyldiethanolamine;2-[(2-hydroxy-ethyl)-methyl-amino]-ethanol;ethanol, 2,2'-(methylimino)bis-;n-methyl diethanolamine;1-hydroxy-2-(2-hydroxyethylmethyl)aminoethane;2,2'-methyliminodiethanol;ethanol, 2,2’-(methylimino)bis-;ethanol, 2,2'-(methylimino)di-;2,2'-(methylimino)diethanol;105-59-9","C(O)CN(C)CCO","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"No alert found","SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["111-41-1","ethanol, 2-[(2-aminoethyl)amino]-;n-(hydroxyethyl)ethylenediamine;2-(2-amino-ethylamino)-ethanol;2-(2-aminoethylamino)ethanol;n-hydroxyethylethylenediamine;n-(aminoethyl)ethanolamine;1-amino-2-(2-hydroxyethyl)aminoethane;ethanol, 2- (2-aminoethyl)amino -;ethanol, 2-Х(2-aminoethyl)aminoе-;2-[(2-aminoethyl)amino]ethanol;2- (2-aminoethylamino)ethanol;2- (2-aminoethylamino) ethanol;ethanol, 2-((2-aminoethyl)amino)-;111-41-1","C(O)CNCCN","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","Schiff base formers|Schiff base formers >> Chemicals Activated by P450 to Glyoxal |Schiff base formers >> Chemicals Activated by P450 to Glyoxal  >> Ethanolamines (including morpholine)|Schiff base formers >> Chemicals Activated by P450 to Glyoxal  >> Ethylenediamines (including piperazine)","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["613-47-8","2-hydroxylaminonaphthalene;hydroxylamine, n-2-naphthyl-;2-naphthalenamine, n-hydroxy- (9ci)","c12c(cc(NO)cc1)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","P&G","No","without S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> N-hydroxylamines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic N-hydroxylamines","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> N-hydroxylamines","Primary aromatic amine,hydroxyl amine and its derived esters","H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters"]
["2528-36-1","dibutyl phenyl phosphate;phosphoric acid, dibutyl phenyl ester;butyl phenyl phosphate, ((buo)2(pho)po);dibutyl phenyl ester phosphoric acid;2528-36-1","c1(OP(=O)(OCCCC)OCCCC)ccccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates","No alert found","Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid (Genotox)|Structural alert for genotoxic carcinogenicity","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates","Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid","Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid|H-acceptor-path3-H-acceptor"]
["16219-75-3","bicyclo[2.2.1]hept-2-ene, 5-ethylidene-;5-ethylidene-2-norbornene;ethylidenenorbornene;ethylidene norbornene;5-ethylidene-8,9,10-trinorborn-2-ene;bicyclo 2.2.1 hept-2-ene, 5-ethylidene-;2-norbornene, 5-ethylidene-;bicycloХ2.2.1еhept-2-ene, 5-ethylidene-;5-ethylidenebicyclo[2.2.1]hept-2-ene;(5e)-5-ethylidenebicyclo[2.2.1]hept-2-ene;bicyclo(2.2.1)hept-2-ene, 5-ethylidene-;16219-75-3","C1(=CC)C2C=CC(C2)C1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 97","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["111-66-0","1-octene;oct-1-ene","C(=C)CCCCCC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Hansen K. et al.","No","No S9 info","J. Chem. Inf. Model., 2009, 49 (9), pp 2077–2081","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",2009,"No information for Salmonella thyphimurium strain and S9 metabolic activation",null,null,"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["141-32-2","n-butyl acrylate;2-propenoic acid, butyl ester;butyl acrylate;acrylic acid butyl ester;butylacrylate;acrylic acid butyl ester (8ci);141-32-2","C(=O)(C=C)OCCCC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated esters","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["502-44-3","e-caprolactone;caprolactone;2-oxepanone;ε-caprolactone;hexan-6-olide;hexanoic acid, 6-hydroxy-, lactone;oxepan-2-one;hexanoic acid, epsilon-lactone;502-44-3;epsilon-caprolactone","C1(=O)CCCCCO1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["610-30-0","2,4-dinitrobenzoic acid;2,4-dinitro-benzoic acid;benzoic acid, 2,4-dinitro-","C(=O)(O)c1c(N(=O)=O)cc(N(=O)=O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","No alert found","No alert found","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","No alert found","H-acceptor-path3-H-acceptor"]
["1948-33-0","2-tert-butylhydroquinone;2-tert-butyl-benzene-1,4-diol;t-butylhydroquinone;2-tert-butyl-1,4-hydroquinone;tertiary butyl hydroquinone;tert-butyl hydroquinone;1,4-benzenediol, 2-(1,1-dimethylethyl)-;t-butylhydroquinone (tbhq);hydroquinone, tert-butyl-;2-tert-butylbenzene-1,4-diol;2-(1,1-dimethylethyl)-1,4-benzenediol;tert-butylhydroquinone;tertiary butylhydroquinone;2-(1,1-dimethylethyl)benzene-1,4-diol","C(C)(C)(C)c1c(O)ccc(O)c1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones","No alert found","No alert found","No alert found","No alert found"]
["24169-02-6","econazole;1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]-1h-imidazolium nitrate;1h-imidazole, 1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]-, mononitrate;1-[2,4-dichloro-beta-[(p-chlorobenzyl)oxy]phenethyl]imidazole mononitrate","c1(Cl)c(C(CN2C=CN=C2)OCc2ccc(Cl)cc2)ccc(Cl)c1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality, Conflict","NO","P&G","No","with S9",null,"TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["24169-02-6","econazole;1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]-1h-imidazolium nitrate;1h-imidazole, 1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]-, mononitrate;1-[2,4-dichloro-beta-[(p-chlorobenzyl)oxy]phenethyl]imidazole mononitrate","c1(Cl)c(C(CN2C=CN=C2)OCc2ccc(Cl)cc2)ccc(Cl)c1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality, Conflict","NO","P&G","No","with S9",null,"TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["75965-74-1","7-methoxy-2-nitronaphtho[2,1-b]furan;naphtho(2,1-b)furan, 7-methoxy-2-nitro-","c12c(c3c(cc(OC)cc3)cc1)C=C(N(=O)=O)O2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Unsaturated heterocyclic nitro","No alert found","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","No alert found","H-acceptor-path3-H-acceptor"]
["123-92-2","isoamyl acetate;isopentyl acetate;1-butanol, 3-methyl-, acetate;3-methylbutyl acetate;123-92-2","C(C)(=O)OCCC(C)C","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Specific Acetate Esters|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Specific Acetate Esters|SN2|SN2 >> Acylating agents|SN2 >> Acylating agents >> Specific Acetate Esters|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Specific Acetate Esters","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["151-67-7","halothane;ethane, 2-bromo-2-chloro-1,1,1-trifluoro-;2-bromo-2-chloro-1,1,1-trifluoroethane;151-67-7","C(F)(F)(F)C(Cl)Br","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes","Acylation|Acylation >> P450 Mediated Activation to Acyl Halides|Acylation >> P450 Mediated Activation to Acyl Halides >> 1,1-Dihaloalkanes","Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes","Aliphatic halogens","Aliphatic halogen"]
["557-91-5","1,1-dibromoethane;ethane, 1,1-dibromo-","C(C)(Br)Br","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes","Acylation|Acylation >> P450 Mediated Activation to Acyl Halides|Acylation >> P450 Mediated Activation to Acyl Halides >> 1,1-Dihaloalkanes","Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes","Aliphatic halogens","Aliphatic halogen"]
["645-05-6","hexamethylmelamine;hexamethyl melamine;altretamine;n,n,n',n',n'',n''-hexamethyl-1,3,5-triazine-2,4,6-triamine;1,3,5-triazine-2,4,6-triamine, n,n,n',n',n'',n''-hexamethyl-","c1(N(C)C)nc(N(C)C)nc(N(C)C)n1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 97","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine","Aromatic mono-and dialkylamine (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Aromatic mono-and dialkylamine","Aromatic mono- and dialkylamine"]
["3234-02-04","trans-2,3-dibromo-2-butene-1,4-diol;2,3-dibromo-2-butene-1,4-diol;dibromobutenediol;2-butene-1,4-diol, 2,3-dibromo-;2,3-dibromobut-2-ene-1,4-diol","C(Br)(=C(Br)CO)CO","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["59901-91-6","1'-hydroxysafrole-2',3'-oxide;1,3-benzodioxole-5-methanol, alpha-epoxyethyl-","c12c(cc(C(O)C3CO3)cc1)OCO2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Methylenedioxyphenyl|SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides","1,3-Benzodioxoles (Nongenotox)|Epoxides and aziridines (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines","Epoxides and aziridines","Epoxides and aziridines|H-acceptor-path3-H-acceptor"]
["64-86-8","colchicine;acetamide, n-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo[a]heptalen-7-yl)-, (s)-;acetamide, n-[(7s)-5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo[a]heptalen-7-yl]-;n-[(7s)-1,2,3,10-tetramethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide;colchicine,itssaltsandderivatives;(s)-n-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo[1]heptalen-7-yl)acetamide;n-[(7s)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5h-benzo[d]heptalen-7-yl]acetamide;acetamide, n-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo(a)heptalen-7-yl)-, (s)-;(-)-form","C12C(c3c(OC)c(OC)c(OC)cc3CCC1NC(C)=O)=CC=C(OC)C(=O)C=2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","N/A","YES","P&G","No","without S9",null,"TA 97","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones","alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","alpha,beta-unsaturated carbonyls","1,3-dialkoxy-benzene|alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor"]
["78-44-4","carisoprodol;carbamic acid, (1-methylethyl)-, 2-[[(aminocarbonyl)oxy]methyl]-2-methylpentyl ester;2-[(carbamoyloxy)methyl]-2-methylpentyl propan-2-ylcarbamate (non-preferred name);carisoprodol(inn);n-(1-methylethyl)carbamic acid 2-[[(aminocarbonyl)oxy]methyl]-2-methylpentyl ester;carbamic acid, (1-methylethyl)-, 2-(((aminocarbonyl)oxy)methyl)-2-methylpentyl ester;78-44-4","C(C)(CCC)(COC(=O)NC(C)C)COC(N)=O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","No alert found","Alkyl carbamate and thiocarbamate (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity|Substituted n-alkylcarboxylic acids (Nongenotox)","No alert found","Alkyl carbamate and thiocarbamate","Alkyl carbamate and thiocarbamate|H-acceptor-path3-H-acceptor"]
["78-84-2","isobutyraldehyde;2-methyl-propionaldehyde;2-methylpropanal;2-methyl-1-propanal;isobutanal;propanal, 2-methyl-;isobutylaldehyde;78-84-2","C(=O)C(C)C","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","Schiff base formers|Schiff base formers >> Direct Acting Schiff Base Formers|Schiff base formers >> Direct Acting Schiff Base Formers >> Mono aldehydes","Simple aldehyde (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Simple aldehyde","Simple aldehyde"]
["286-20-4","7-oxabicyclo[4.1.0]heptane;7-oxabicyclo 4.1.0 heptane;cyclohexene oxide;7-oxa-bicyclo[4.1.0]heptane;1,2-epoxycyclohexane;7-oxabicycloХ4.1.0еheptane;7-oxa-bicyclo[4.1.]heptane;7-oxabicyclo(4.1.0)heptane;286-20-4","C12C(CCCC1)O2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","National Cancer Institute","No","with S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,null,"Short-Term Testing Program in the National Cancer Institute (NCI), National Institutes of Health, US Department of Health and Human Services","Source of metabolic system - rat","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines","SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides","Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines","Epoxides and aziridines","Epoxides and aziridines"]
["1972-08-03","1-trans-delta9-tetrahydrocannabinol;1-trans-delta-9-tetrahydrocannabinol;1-trans-delta(sup 9)-tetrahydrocannabinol;delta(1)-thc;delta(9)-tetrahydrocannibinol;tetrahydrocannabinol, beta-9-;1-trans-delta-9-tetrahydrocannabinol (thc);delta-9-tetrahydrocannabinol;6h-dibenzo(b,d)pyran-1-ol, 6a,7,8,10a-tetrahydro-6,6,9-trimethyl-3-pentyl-, (6ar-trans)-;1972-08-3;tetrahydrocannabinol;(6<i>ar</i>,10<i>ar</i>)-form","c1(O)c2c(cc(CCCCC)c1)OC(C)(C)C1C2C=C(C)CC1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["54827-17-7","3,3',5,5'-tetramethylbenzidine;[1,1’-biphenyl]-4,4’-diamine, 3,3’,5,5’-tetramethyl-;[1,1'-biphenyl]-4,4'-diamine, 3,3',5,5'-tetramethyl-;3,3',5,5'-tetramethylbiphenyl-4,4'-diamine;(1,1'-biphenyl)-4,4'-diamine, 3,3',5,5'-tetramethyl-","c1(-c2cc(C)c(N)c(C)c2)cc(C)c(N)c(C)c1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","No alert found","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Primary aromatic amine,hydroxyl amine and its derived esters","Primary aromatic amine, hydroxyl amine and its derived esters"]
["94-36-0","benzoyl peroxide;peroxide, dibenzoyl;novadelox (18% benzoyl peroxide, 78% calcium sulphate, 4% magnesium carbonate);dibenzoyl peroxide;diphenylperoxyanhydride;benzoylperoxide;novadelox;94-36-0","C(=O)(c1ccccc1)OOC(=O)c1ccccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Organic Peroxy Compounds","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["379-79-3","ergotamine tartrate;ergotamine tartrate [usan:jan]","C12c3c(C4C(C1)N(C)CC(C(=O)NC1(C)C(=O)N5C(O)(C6CCCN6C(=O)C5Cc5ccccc5)O1)C=4)cccc3NC=2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality, Conflict","NO","National Cancer Institute","No","with S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,null,"Short-Term Testing Program in the National Cancer Institute (NCI), National Institutes of Health, US Department of Health and Human Services","Source of metabolic system - rat","No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes|SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["7681-76-7","ronidazole;(1-methyl-5-nitro-1h-imidazol-2-yl)methyl carbamate;1-methyl-5-nitro-1h-imidazole-2-methanol carbamate ester (9ci)","C1(N(=O)=O)=CN=C(COC(N)=O)N1C","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Unsaturated heterocyclic nitro","Alkyl carbamate and thiocarbamate (Genotox)|Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","Alkyl carbamate and thiocarbamate|Nitro-aromatic","Alkyl carbamate and thiocarbamate|H-acceptor-path3-H-acceptor|Nitro-aromatic"]
["26761-40-0","1,2-benzenedicarboxylic acid, 1,2-diisodecyl ester;diisodecyl phthalate;1,2-benzenedicarboxylic acid diisodecyl ester;1,2-benzenedicarboxylic acid, diisodecyl ester;di-''isodecyl'' phthalate;bis(8-methylnonyl) benzene-1,2-dicarboxylate;diisodecylphthalate;benzene-1,2-dicarboxylicacid diisodecyl;di-i-decyl phthalate","C(=O)(c1c(C(=O)OCCCCCCCC(C)C)cccc1)OCCCCCCCC(C)C","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality, Conflict","NO","P&G","No","without S9",null,"TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","No alert found","Phtalate (or buthyl) diesters and monoesters (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["75-15-0","carbon disulfide;carbon;carbon disulphide;methanedithione;carbondisulphide","C(=S)=S","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["98-83-9","benzene, (1-methylethenyl)-;a-methylstyrene;alpha-methylstyrene;2-phenyl-1-propene (a-methyl styrene);alpha-methyl styrene;1-methylethenylbenzene;2-phenylpropene;styrene, .alpha.-methyl-;benzene, isopropenyl-;alpha-methylstyrol;prop-1-en-2-ylbenzene;(alpha)-methylstyrene;isopropenylbenzene;98-83-9","C(=C)(C)c1ccccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["102-06-7","guanidine, n,n'-diphenyl-;n,n'-diphenylguanidine;1,3-diphenylguanidine;n,n'-diphenyl-guanidine;diphenylguanidine;guanidine, n,n -diphenyl-;guanidine, n,n’-diphenyl-;guanidine, 1,3-diphenyl-;n,n''-diphenylguanidine;102-06-7","c1(NC(=N)Nc2ccccc2)ccccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["122-80-5","acetamide, n-(4-aminophenyl)-;p-aminoacetanilide;n-(4-amino-phenyl)-acetamide;4'-aminoacetanilide;p-amino acetanilide;acetanilide, 4'-amino-;n-(4-aminophenyl)acetamide;122-80-5","c1(N)ccc(NC(C)=O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Aromatic N-acyl amine (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Aromatic N-acyl amine|Primary aromatic amine,hydroxyl amine and its derived esters","Aromatic N-acyl amine|H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters"]
["95-82-9","benzenamine, 2,5-dichloro-;2,5-dichloroaniline;2,5-dichloro-aniline;95-82-9","c1(Cl)c(N)cc(Cl)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Primary aromatic amine,hydroxyl amine and its derived esters","Primary aromatic amine, hydroxyl amine and its derived esters"]
["119-64-2","naphthalene, 1,2,3,4-tetrahydro-;tetrahydronaphthalene;tetralin;1,2,3,4-tetrahydronaphthalene;119-64-2","c12c(cccc1)CCCC2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","National Cancer Institute","No","without S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,null,"Short-Term Testing Program in the National Cancer Institute (NCI), National Institutes of Health, US Department of Health and Human Services",null,"No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes","No alert found","No alert found","No alert found","No alert found"]
["839-90-7","1,3,5-triazine-2,4,6(1h,3h,5h)-trione, 1,3,5-tris(2-hydroxyethyl)-;1,3,5-tris(2'-hydroxyethyl) isocyanuric acid;1,3,5-tris(2-hydroxyethyl)triazine-2,4,6-trione;1,3,5-tris-(2-hydroxy-ethyl)-[1,3,5]triazinane-2,4,6-trione;1,3,5-triazine-2,4,6(1h,3h,5h)-trione, 1,3,5-tris(2-hydroxyethyl);1,3,5-tris(2-hydroxyethyl)-1,3,5-triazine-2,4,6-(1h,3h,5h)-trione;tris(2-hydroxyethyl)-1,3,5-triazinetrione;s-triazine-2,4,6(1h,3h,5h)-trione, 1,3,5-tris(2-hydroxyethyl)-;s-triazine-2,4,6(1h,3h,5h)-trione, tris(2-hydroxyethyl)-;1,3,5-tris(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione;1,3,5-tris(2''-hydroxyethyl)isocyanuric acid","C1(=O)N(CCO)C(=O)N(CCO)C(=O)N1CCO","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives","SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["87-83-2","benzene, 1,2,3,4,5-pentabromo-6-methyl-;pentabromotoluene;pentabromomethylbenzene;2,3,4,5,6-pentabromotoluene;benzene, pentabromomethyl-;toluene, 2,3,4,5,6-pentabromo-;1,2,3,4,5-pentabromo-6-methylbenzene","c1(Br)c(Br)c(Br)c(Br)c(Br)c1C","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 97","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["98-15-7","benzene, 1-chloro-3-(trifluoromethyl)-;3-trifluoromethyl-chlorobenzene;3-chlorobenzotrifluoride;m-chlorobenzotrifluoride;3-chloro-±,±,±-trifluorotoluene;3-chloro-?,?,?-trifluorotoluene;toluene, m-chloro-.alpha.,.alpha.,.alpha.-trifluoro-;1-chloro-3-(trifluoromethyl)benzene;toluene, m-chloro-alpha,alpha,alpha-trifluoro- (8ci)","C(F)(F)(F)c1cc(Cl)ccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","No alert found","Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","No alert found"]
["80-43-3","peroxide, bis(1-methyl-1-phenylethyl);dicumylperoxide;dicumyl peroxide;cumene peroxide;bis(1-methyl-1-phenylethyl) peroxide;bis(±,±-dimethylbenzyl) peroxide;bis(?,?-dimethylbenzyl) peroxide;peroxide, bis(.alpha.,.alpha.-dimethylbenzyl);1,1'-(dioxydipropane-2,2-diyl)dibenzene;bis(1-methyl-1-phenylethyl)peroxide;bis(α,α-dimethylbenzyl) peroxide;peroxide, bis(alpha,alpha-dimethylbenzyl);80-43-3","C(C)(C)(c1ccccc1)OOC(C)(C)c1ccccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Organic Peroxy Compounds","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["504-29-0","2-pyridinamine;2-aminopyridine;pyridin-2-ylamine;2-pyridylamine;alpha-aminopyridine;pyridin-2-amine;pyridine, 2-amino-;504-29-0","c1(N)ccccn1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Primary aromatic amine,hydroxyl amine and its derived esters","Primary aromatic amine, hydroxyl amine and its derived esters"]
["56-93-9","benzyltrimethylammonium chloride;benzyl trimethyl ammonium chloride;benzenemethanaminium, n,n,n-trimethyl-, chloride;benzyltrimethyl ammonium chloride;ammonium, benzyltrimethyl-, chloride;benzyltrimethylammonium chloridebenzenemethanaminium, n,n,n-trimethyl-, chloride;n,n,n-trimethyl(phenyl)methanaminium chloride;n,n,n-trimethylbenzenemethanaminium, chloride;benzylthrimethylammonium chloride","c1(CN{+}(C)(C)(C).Cl{-})ccccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes","No alert found","No alert found","No alert found","No alert found"]
["611-06-3","benzene, 2,4-dichloro-1-nitro-;2,4-dichloronitrobenzene;2,4-dichloro-1-nitrobenzene;1,3-dichloro-4-nitrobenzene","c1(N(=O)=O)c(Cl)cc(Cl)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro","Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","Nitro-aromatic","Nitro-aromatic"]
["1241-94-7","phosphoric acid, 2-ethylhexyl diphenyl ester;2-ethylhexyldiphenyl phosphate;ethyl hexyl diphenyl phosphate;2-ethylhexyl diphenyl phosphate;diphenyl 2-ethylhexyl phosphate;o=p(o-phenyl)2 o-ethexyl","c1(OP(=O)(Oc2ccccc2)OCC(CCCC)CC)ccccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality, Conflict","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates","No alert found","Structural alert for nongenotoxic carcinogenicity|Substituted n-alkylcarboxylic acids (Nongenotox)","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates","No alert found","H-acceptor-path3-H-acceptor"]
["3209-22-1","benzene, 1,2-dichloro-3-nitro-;2,3-dichloronitrobenzene;1,2-dichloro-3-nitrobenzene","c1(Cl)c(Cl)c(N(=O)=O)ccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro","Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","Nitro-aromatic","Nitro-aromatic"]
["101-67-7","benzenamine, 4-octyl-n-(4-octylphenyl)-;4,4'-dioctyldiphenylamine;bis(4-octylphenyl)amine;4-octyl-n-(4-octylphenyl)benzenamine;diphenylamine, 4,4'-dioctyl-;4-octyl-n-(4-octylphenyl)aniline;diphenylamine, 4,4'-dioctyl- (8ci)","c1(Nc2ccc(CCCCCCCC)cc2)ccc(CCCCCCCC)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["81-11-8","2,2'-(e)-ethene-1,2-diylbis(5-aminobenzenesulfonic acid);4,4'-diamino-2,2'-stilbenedisulfonic acid;amsonic acid;2,2’-diamino-4,4’-stilbenedisulfonic acid;4,4'-diaminostilbene-2,2'-disulphonic acid;benzenesulfonic acid, 2,2’-(1,2-ethenediyl)bis[5-amino-;benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-amino-;benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis 5-amino-;2,2'-stilbenedisulfonic acid, 4,4'-diamino-;benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bisХ5-amino-;2,2'-ethene-1,2-diylbis(5-aminobenzenesulfonic acid);4,4''-diamino-2.2''-stilbene disulfonic acid;benzenesulfonic acid, 2,2'-(1,2-ethylenediyl)bis(5-amino- (9ci)","c1(S(=O)(=O)O)c(C=Cc2c(S(=O)(=O)O)cc(N)cc2)ccc(N)c1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["119-06-2","1,2-benzenedicarboxylic acid, ditridecyl ester;ditridecyl phthalate;di(tridecyl) phthalate;phthalic acid, ditridecyl ester;ditridecyl benzene-1,2-dicarboxylate","C(=O)(c1c(C(=O)OCCCCCCCCCCCCC)cccc1)OCCCCCCCCCCCCC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","No alert found","Phtalate (or buthyl) diesters and monoesters (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["101-20-2","urea, n-(4-chlorophenyl)-n'-(3,4-dichlorophenyl)-;triclocarban;urea, n-(4-chlorophenyl)-n’-(3,4-dichlorophenyl)-;3,4,4'-trichlorocarbanilide;carbanilide, 3,4,4'-trichloro-;1-(4-chlorophenyl)-3-(3,4-dichlorophenyl)urea;n-(4-chlorophenyl)-n'-(3,4-dichlorophenyl)urea","c1(Cl)c(Cl)cc(NC(=O)Nc2ccc(Cl)cc2)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 97","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic phenylureas","Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["75-26-3","2-bromopropane;iso-propyl bromide;propane, 2-bromo-;2bromopropane","C(C)(C)Br","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Monohaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Monohaloalkanes|SN2 >> Ring opening SN2 reaction|SN2 >> Ring opening SN2 reaction >> Monohaloalkanes","SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides","Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Monohaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Monohaloalkanes|SN2 >> Ring opening SN2 reaction|SN2 >> Ring opening SN2 reaction >> Monohaloalkanes","Aliphatic halogens","Aliphatic halogen"]
["93-15-2","methyl eugenol;benzene, 1,2-dimethoxy-4-(2-propen-1-yl)-;methyleugenol;4-allylveratrole;benzene, 1,2-dimethoxy-4-(2-propenyl)-;1,2-dimethoxy-4-(prop-2-en-1-yl)benzene;1,2-dimethoxy-4-(2-propenyl)benzene;4-allyl-1,2-dimethoxybenzene;2-methoxy-4-propenylphenolmethylether;93-15-2;di-me ether;4-(2-propenyl)-1,2-benzenediol","c1(OC)c(OC)cc(CC=C)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones|SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Allyl benzenes","Alkylbenzenes (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["99-82-1","p-menthane;cyclohexane, 1-methyl-4-(1-methylethyl)-;1-isopropyl-4-methylcyclohexane;1-methyl-4-(propan-2-yl)cyclohexane","C(C)(C)C1CCC(C)CC1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["100-21-0","terephthalic acid;1,4-benzenedicarboxylic acid;terephthalic acid (tpa);benzene-1,4-dicarboxylic acid;terephtalic acid","C(=O)(O)c1ccc(C(=O)O)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 97","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["108-69-0","3,5-dimethylaniline;3,5-xylidine;3,5-dimethyl-phenylamine;benzenamine, 3,5-dimethyl-;3,5-dimethyl-aniline;108-69-0","c1(N)cc(C)cc(C)c1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Primary aromatic amine,hydroxyl amine and its derived esters","Primary aromatic amine, hydroxyl amine and its derived esters"]
["124-09-4","1,6-diaminohexane;hexane-1,6-diamine;1,6-hexanediamine;hexamethylene diamine;hexamethylenediamine base;hexamethylenediamine;124-09-4","C(N)CCCCCN","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["124-09-4","1,6-diaminohexane;hexane-1,6-diamine;1,6-hexanediamine;hexamethylene diamine;hexamethylenediamine base;hexamethylenediamine;124-09-4","C(N)CCCCCN","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["544-63-8","tetradecanoic acid;myristic acid;myristic acid, pure","C(=O)(O)CCCCCCCCCCCCC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["623-15-4","furfural acetone;3-buten-2-one, 4-(2-furanyl)-;4-(2-furyl)but-3-en-2-one;4-(furan-2-yl)but-3-en-2-one;3-buten-2-one, 4-(2-furyl)-;furfurylideneacetone;3-buten-2-one, 4-(2-furyl)- (6ci,8ci)","C(C)(=O)C=CC1=CC=CO1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 97","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","Michael addition|Michael addition >> P450 Mediated Activation of Heterocyclic Ring Systems|Michael addition >> P450 Mediated Activation of Heterocyclic Ring Systems >> Furans|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated ketones","alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","alpha,beta-unsaturated carbonyls","alpha,beta-unsaturated carbonyls"]
["25013-16-5","phenol, (1,1-dimethylethyl)-4-methoxy-;butylated hydroxyanisole;2-tert-butyl-4-methoxyphenol;tert-butyl-4-methoxyphenol;1,1-dimethylethyl-4-methoxyphenol;t-butylhydroxyanisole;25013-16-5","C(C)(C)(C)c1c(O)ccc(OC)c1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones","No alert found","No alert found","No alert found","No alert found"]
["108-11-2","isobutylmethylcarbinol;4-methyl-2-pentanol;4-methylpentan-2-ol;2-pentanol, 4-methyl-;108-11-2","C(C)(O)CC(C)C","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","N/A","YES","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["609-19-8","3,4,5-trichlorophenol;trichlorophenol, 3,4,5-;3,4,5-trichloro-phenol;phenol, 3,4,5-trichloro-","c1(Cl)c(Cl)c(Cl)cc(O)c1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["106-40-1","4-bromoaniline;p-bromoaniline;4-bromo-phenylamine;4-bromo-aniline;benzenamine, 4-bromo-;aniline, p-bromo-;4-bromobenzenamine;106-40-1","c1(Br)ccc(N)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Primary aromatic amine,hydroxyl amine and its derived esters","Primary aromatic amine, hydroxyl amine and its derived esters"]
["106-40-1","4-bromoaniline;p-bromoaniline;4-bromo-phenylamine;4-bromo-aniline;benzenamine, 4-bromo-;aniline, p-bromo-;4-bromobenzenamine;106-40-1","c1(Br)ccc(N)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Primary aromatic amine,hydroxyl amine and its derived esters","Primary aromatic amine, hydroxyl amine and its derived esters"]
["111-92-2","dibutylamine;dibutyl-amine;1-butanamine, n-butyl-;n-butyl-1-butanamine;di-n-butylamine;1-butylaminobutane;n-butylbutan-1-amine;di--n-butylamine;111-92-2","C(CCC)NCCCC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 97","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["15950-66-0","2,3,4-trichlorophenol;chlorophenol, 2,3,4-;trichlorophenol, 2,3,4-;2,3,4-trichloro-phenol;phenol, 2,3,4-trichloro-","c1(Cl)c(Cl)c(Cl)c(O)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["540-59-0","1,2-dichloroethylene;cis,trans-1,2-dichloroethylene;cis & trans 1,2-dichloroethylene;ethene, 1,2-dichloro-;(e)-1,2-dichloroethene;1,2-dichloroethene;ethylene, 1,2-dichloro-;540-59-0","C(Cl)=CCl","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["103-85-5","thiourea,;1-phenyl-2-thiourea;n-phenylthiourea;phenyl-2-thiourea;thiourea, phenyl-;urea, 1-phenyl-2-thio-;1-phenylthiourea;n-phenylthiourea,;phenyl thiourea;103-85-5","c1(NC(N)=S)ccccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 97","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives","No alert found","Structural alert for nongenotoxic carcinogenicity|Thiocarbonyl (Nongenotox)","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["105-55-5","urea,;n,n'-diethylthiourea;n,n-diethylthiourea;n,n’-diethylthiourea;diethylthiourea, n,n'-;1,3-diethylthiourea;1,3-diethyl-2-thiourea;thiourea, n,n’-diethyl-;thiourea, n,n'-diethyl-;urea, 1,3-diethyl-2-thio-;105-55-5","C(=S)(NCC)NCC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","No S9 info","Mutation Research 584 (2005) 1-256","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity",null,"SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives","No alert found","Structural alert for nongenotoxic carcinogenicity|Thiocarbonyl (Nongenotox)","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["2489-77-2","thiourea;thiourea,;trimethylthiourea;1,1,3-trimethyl-2-thiourea;trimethyl thiourea;thiourea, trimethyl-;urea, 1,1,3-trimethyl-2-thio-\"\"\";trimethyl-2-thiourea;urea, 1,1,3-trimethyl-2-thio-;1,1,3-trimethylthiourea;urea, 1,1,3-trimethyl-2-thio-\";2489-77-2;<i>n</i>-tri-me","C(=S)(N(C)C)NC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","No S9 info","Mutation Research 584 (2005) 1-256","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity",null,"SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives","SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","Structural alert for nongenotoxic carcinogenicity|Thiocarbonyl (Nongenotox)","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["35693-99-3","2,2',5,5'-pcb;pcb 52;2,2',5,5'-tetrachloro-1,1'-biphenyl;2,2',5,5'-tetrachlorobiphenyl;2,2',5,5'-tetrachlorobiphenyl/pcb 52;2,2’,5,5’-tetrachlorobiphenyl;2,5,2',5'-tetrachlorobiphenyl;2,2'',5,5''-tretrachlorobiphenyl","c1(-c2c(Cl)ccc(Cl)c2)c(Cl)ccc(Cl)c1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["112-95-8","eicosane;n-eicosane;icosane","C(C)CCCCCCCCCCCCCCCCCC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 97","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["151-41-7","dodecylsulfat;dodecyl sulfate;dodecyl hydrogen sulphate;sulfuric acid, monododecyl ester;dodecyl hydrogen sulfate;151-41-7","C(CCCCCCCCCCC)OS(=O)(=O)O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["29761-21-5","alkyl (c=8-11) diphenyl phosphate;isodecyl diphenyl phosphate;phosphoric acid, isodecyl diphenyl ester;isodecy diphenyl phosphate","c1(OP(=O)(Oc2ccccc2)OCCCCCCCC(C)C)ccccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality, Conflict","NO","P&G","No","without S9",null,"TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates","No alert found","No alert found","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates","No alert found","H-acceptor-path3-H-acceptor"]
["150-78-7","p-dimethoxybenzene;dimethoxybenzene, 1,4-;hydroquinone dimethyl ether;1,4-dimethoxybenzene;benzene, 1,4-dimethoxy-;benzene, p-dimethoxy-;150-78-7","c1(OC)ccc(OC)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 97","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones","No alert found","No alert found","No alert found","No alert found"]
["529-19-1","2-tolunitrile;o-tolunitrile;2-methylbenzonitrile;o-toluonitrile;benzonitrile, 2-methyl-;529-19-1","C(#N)c1c(C)cccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","National Cancer Institute","No","with S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,null,"Short-Term Testing Program in the National Cancer Institute (NCI), National Institutes of Health, US Department of Health and Human Services","Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["529-20-4","2-tolualdehyde;o-tolualdehyde;2-methylbenzaldehyde;benzaldehyde, 2-methyl-;o-tolualdehyde (8ci)","c1(C)c(C=O)cccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","No alert found","Simple aldehyde (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Simple aldehyde","Simple aldehyde"]
["74-11-3","4-chlorobenzoic acid;p-chlorobenzoic acid;4-chloro-benzoic acid;p-chloro-benzoic acid;benzoic acid, 4-chloro-;74-11-3","C(=O)(O)c1ccc(Cl)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","No alert found","Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["51-17-2","benzimidazole;1h-benzoimidazole;1h-benzimidazole","c12c(cccc1)N=CN2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","No alert found","Imidazole, benzimidazole (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["75-52-5","nitromethane;methane, nitro-;75-52-5","CN(=O)=O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","No S9 info","Mutation Research 584 (2005) 1-256","No strain info",null,"In Vitro mammalian chromosome aberration test","Gene mutation","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","No alert found","No alert found","No alert found","No alert found","No alert found"]
["84-11-7","9,10-phenanthrenequinone;phenanthrene quinone, 9,10-;phenanthrene-9,10-dione;9,10-phenanthrenedione","c12C(=O)C(=O)c3c(-c1cccc2)cccc3","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"No alert found","Schiff base formers|Schiff base formers >> Direct Acting Schiff Base Formers|Schiff base formers >> Direct Acting Schiff Base Formers >> Alpha-beta-dicarbonyl","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["90-00-6","2-ethylphenol;o-ethylphenol;o-ethyl phenol;2-ethyl-phenol;phenol, 2-ethyl-;phenol, o-ethyl-","c1(O)c(CC)cccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 97","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Alkyl phenols","No alert found","No alert found","No alert found","No alert found"]
["91-19-0","quinoxaline","c12c(cccc1)nccn2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["99-75-2","methyl-4-methylbenzoate;methyl p-toluate;benzoic acid, 4-methyl-, methyl ester;methyl-p-toluate;p-toluic acid, methyl ester;methyl 4-methylbenzoate;99-75-2","C(=O)(c1ccc(C)cc1)OC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["101-18-8","phenol, 3-(phenylamino)-;3-hydroxy-n-phenylaniline;3-hydroxydiphenylamine;m-anilinophenol;phenol, m-anilino-;3-(phenylamino)phenol;phenol, m-anilino- (8ci)","c1(O)cc(Nc2ccccc2)ccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["104-91-6","4-nitrosophenol;p-quinone monooxime;4-nitroso-phenol;p-nitrosophenol;phenol, 4-nitroso-;phenol, p-nitroso-;4nitrosophenol","c1(O)ccc(N=O)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitroso","Aromatic nitroso group (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","Aromatic nitroso group","Aromatic nitroso group  |H-acceptor-path3-H-acceptor"]
["106-65-0","dimethyl succinate;butanedioic acid, 1,4-dimethyl ester;dimethylsuccinate;butanedioic acid, dimethyl ester;succinic acid, dimethyl ester;dimethyl butanedioate","C(=O)(CCC(=O)OC)OC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["149-57-5","2-ethylhexanoic acid;2-ethyl-hexanoic acid;hexanoic acid, 2-ethyl-;2-ethylhexanioic acid;2ethylhexanoicacid;149-57-5;(±)-form","C(=O)(O)C(CCCC)CC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"No alert found","No alert found","Structural alert for nongenotoxic carcinogenicity|Substituted n-alkylcarboxylic acids (Nongenotox)","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["149-57-5","2-ethylhexanoic acid;2-ethyl-hexanoic acid;hexanoic acid, 2-ethyl-;2-ethylhexanioic acid;2ethylhexanoicacid;149-57-5;(±)-form","C(=O)(O)C(CCCC)CC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","No alert found","Structural alert for nongenotoxic carcinogenicity|Substituted n-alkylcarboxylic acids (Nongenotox)","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["500-66-3","olivetol (5-pentylresorcinol);olivetol;5-pentylresorcinol;5-pentylbenzene-1,3-diol;1,3-benzenediol, 5-pentyl- (9ci);olivetol (3,5-dihydroxyamylbenzene)","c1(O)cc(O)cc(CCCCC)c1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 97","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["590-17-0","acetonitrile, bromo-;bromoacetonitrile","C(#N)CBr","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups","SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides","Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity","Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups","Aliphatic halogens","Aliphatic halogen"]
["620-22-4","3-tolunitrile;m-tolunitrile;benzonitrile, 3-methyl-;3-methylbenzoic acid;m-toluonitrile;3-methylbenzonitrile;620-22-4;nitrile","C(#N)c1cc(C)ccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 97","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["646-14-0","1-nitrohexane;nitrohexane;hexane, 1-nitro-","C(CCCCC)N(=O)=O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 97","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","No alert found","No alert found","No alert found","No alert found","No alert found"]
["709-49-9","2,4-dinitro-1-iodobenzene;1-iodo-2,4-dinitrobenzene","c1(I)c(N(=O)=O)cc(N(=O)=O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro","Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","Nitro-aromatic","Nitro-aromatic"]
["881-03-8","2-methyl-1-nitronaphthalene;1-nitro-2-methylnaphthalene;naphthalene, 2-methyl-1-nitro-","c1(C)c(N(=O)=O)c2c(cccc2)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro","Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","Nitro-aromatic","Nitro-aromatic"]
["1122-58-3","4-dimethylaminopyridine;dimethyl-pyridin-4-yl-amine;n,n-dimethyl-4-pyridinamine;4-pyridinamine, n,n-dimethyl-;pyridine, 4-(dimethylamino)-;n,n-dimethylpyridin-4-amine;1122-58-3","c1(N(C)C)ccncc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","National Cancer Institute","No","with S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,null,"Short-Term Testing Program in the National Cancer Institute (NCI), National Institutes of Health, US Department of Health and Human Services","Source of metabolic system - rat","No alert found","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine","Aromatic mono-and dialkylamine (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Aromatic mono-and dialkylamine","Aromatic mono- and dialkylamine"]
["2243-47-2","3-aminobiphenyl (3-phenylaniline);3-aminobiphenyl;biphenyl-3-ylamine;(1,1'-biphenyl)-3-amine (9ci)","c1(-c2cc(N)ccc2)ccccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Moderate Quality","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Primary aromatic amine,hydroxyl amine and its derived esters","Primary aromatic amine, hydroxyl amine and its derived esters"]
["6728-26-3","(trans)-2-hexenal;2-hexenal;trans-2-hexenal;(e)-2-hexenal;trans-2-hexenal xl000255;trans-hex-2-enal;2-hexenal, (e)-;2-hexenal, (2e)-;(2e)-hex-2-enal;(<i>e</i>)-form","C(=O)C=CCCC","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","N/A","YES","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"Michael addition|Michael addition >> alpha, beta-unsaturated carabonyl compounds|Michael addition >> alpha, beta-unsaturated carabonyl compounds >> Alpha, Beta-Unsaturated Aldehydes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Alpha, Beta-Unsaturated Aldehydes","Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated aldehydes","alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity","Michael addition|Michael addition >> alpha, beta-unsaturated carabonyl compounds|Michael addition >> alpha, beta-unsaturated carabonyl compounds >> Alpha, Beta-Unsaturated Aldehydes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Alpha, Beta-Unsaturated Aldehydes","alpha,beta-unsaturated carbonyls","alpha,beta-unsaturated carbonyls"]
["14371-10-9","trans-cinnamaldehyde;cinnamaldehyde, (e)-;2-propenal, 3-phenyl-, (2e)-;(2e)-3-phenyl-2-propenal;(2e)-3-phenylacrylaldehyde;2-propenal, 3-phenyl-, (e)- (9ci)","c1(C=CC=O)ccccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"Michael addition|Michael addition >> alpha, beta-unsaturated carabonyl compounds|Michael addition >> alpha, beta-unsaturated carabonyl compounds >> Alpha, Beta-Unsaturated Aldehydes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Alpha, Beta-Unsaturated Aldehydes","No alert found","No alert found","Michael addition|Michael addition >> alpha, beta-unsaturated carabonyl compounds|Michael addition >> alpha, beta-unsaturated carabonyl compounds >> Alpha, Beta-Unsaturated Aldehydes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Alpha, Beta-Unsaturated Aldehydes","No alert found","No alert found"]
["98-56-6","1-chloro-4-(trifluoromethyl)benzene;p-chloro-alpha,alpha,alpha-trifluorotoluene;4-(trifluoromethyl)chlorobenzene;4-chlorobenzotrifluoride;4-chloro-alpha,alpha,alpha-trifluorotoluene;4-chloro-±,±,±-trifluorotoluene;4-chloro-?,?,?-trifluorotoluene;benzene, 1-chloro-4-(trifluoromethyl)-;toluene, p-chloro-.alpha.,.alpha.,.alpha.-trifluoro-;p-chlorobenzotrifluoride;toluene, p-chloro-alpha,alpha,alpha-trifluoro-;98-56-6","C(F)(F)(F)c1ccc(Cl)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","No alert found","Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","No alert found"]
["103-70-8","n-phenylformamide;formanilide;formamide, n-phenyl-","c1(NC=O)ccccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"No alert found","Acylation|Acylation >> P450 Mediated Activation to Isocyanates or Isothiocyanates|Acylation >> P450 Mediated Activation to Isocyanates or Isothiocyanates >> Formamides","Aromatic N-acyl amine (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Aromatic N-acyl amine","Aromatic N-acyl amine|H-acceptor-path3-H-acceptor"]
["50-53-3","chlorpromazine;[3-(2-chloro-phenothiazin-10-yl)-propyl]-dimethyl-amine;10h-phenothiazine-10-propanamine, 2-chloro-n,n-dimethyl-;chloropromazine;3-(2-chloro-10h-phenothiazin-10-yl)-n,n-dimethylpropan-1-amine;2-chloro-n,n-dimethyl-10h-phenothiazine-10-propanamine","c12c(cc(Cl)cc1)N(CCCN(C)C)c1c(cccc1)S2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","No alert found"]
["50-84-0","2,4-dichlorobenzoic acid;2,4-dichloro-benzoic acid;2.4-dichlorobenzoic acid;benzoic acid, 2,4-dichloro-","C(=O)(O)c1c(Cl)cc(Cl)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Hansen K. et al.","No","No S9 info","J. Chem. Inf. Model., 2009, 49 (9), pp 2077–2081","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",2009,"No information for Salmonella thyphimurium strain and S9 metabolic activation",null,null,"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["51-65-0","4-fluoro-dl-phenylalanine;(s)-2-amino-3-(4-fluoro-phenyl)-propionic acid;p-fluorophenylalanine;4-fluoro-d,1-phenylalanine;dl-3-(4-fluorophenyl)alanine;phenylalanine, 4-fluoro-;4-fluoro-l-phenylalanine","C(=O)(O)C(N)Cc1ccc(F)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","No alert found","Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["56-05-3","2-amino-4,6-dichloropyrimidine;py 11;2-pyrimidinamine, 4,6-dichloro-;pyrimidine, 2-amino-4,6-dichloro-;4,6-dichloropyrimidin-2-ylamine;4,6-dichloropyrimidin-2-amine;pyrimidine, 2-amino-4,6-dichloro- (8ci)","c1(Cl)cc(Cl)nc(N)n1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","No alert found","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Primary aromatic amine,hydroxyl amine and its derived esters","Primary aromatic amine, hydroxyl amine and its derived esters"]
["56-72-4","coumaphos;o-(3-chloro-4-methyl-2-oxo-2h-chromen-7-yl) o,o-diethyl phosphorothioate;phosphorothioic acid, o-(3-chloro-4-methyl-2-oxo-2h-1-benzopyran-7-yl) o,o-diethyl ester;phosphorothioic acid o-(3-chloro-4-methyl-2-oxo-2h-1-benzopyran-7-yl) o,o-diethyl ester;o-(3-chloro-4-methyl-2-oxo-2h-chromen-7-yl) o,o-diethyl thiophosphate;56-72-4","C1(C)c2c(cc(OP(=S)(OCC)OCC)cc2)OC(=O)C=1Cl","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"Radical|Radical >> Generation of reactive oxygen species|Radical >> Generation of reactive oxygen species >> Coumarins|SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Coumarins|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates","No alert found","Coumarins and Furocoumarins (Genotox)|Structural alert for genotoxic carcinogenicity","SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates","Coumarins and Furocoumarins","Coumarins and Furocoumarins|H-acceptor-path3-H-acceptor"]
["57-71-6","2,3-butanedione 2-oxime;butane-2,3-dione monooxime;2,3-butanedione, monooxime;2,3-butanedione-2-oxime;2,3-butanedione monoxime;2,3-butanedione oxime;(3e)-3-(hydroxyimino)butan-2-one","C(C)(=O)C(C)=NO","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 97","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> N-hydroxylamines","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["59-31-4","2-hydroxyquinoline;1h-quinolin-2-one;2-(1h)-quinolinone;2(1h)-quinolinone;2-quinolone","c12c(C=CC(=O)N1)cccc2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["61-57-4","niridazole;1-(5-nitro-1,3-thiazol-2-yl)imidazolidin-2-one;2-imidazolidinone, 1-(5-nitro-2-thiazolyl)-;1-(5-nitro-2-thiazolyl)-2-imidazolidinone","C1(N(=O)=O)=CN=C(N2C(=O)NCC2)S1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives","SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Unsaturated heterocyclic nitro","Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","Nitro-aromatic","H-acceptor-path3-H-acceptor|Nitro-aromatic"]
["64-18-6","formic acid;64-18-6","C(=O)O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["70-34-8","1-fluoro-2,4-dinitrobenzene;benzene, 1-fluoro-2,4-dinitro-","c1(F)c(N(=O)=O)cc(N(=O)=O)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro","Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","Nitro-aromatic","Nitro-aromatic"]
["73-49-4","quinethazone;quinethazone (aquamox);7-chloro-2-ethyl-4-oxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamide;6-quinazolinesulfonamide, 7-chloro-2-ethyl-1,2,3,4-tetrahydro-4-oxo-;6-quinazolinesulfonamide, 1,2,3,4-tetrahydro-7-chloro-2-ethyl-4-oxo-","C1(=O)c2c(cc(Cl)c(S(N)(=O)=O)c2)NC(CC)N1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Secondary aromatic amine","Benzenesulfonic ethers, methylation (Nongenotox)|Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["75-78-5","dimethyldichlorosilane;dichlorodimethylsilane;silane, dichlorodimethyl-;dichloro(dimethyl)silane;75-78-5","C[Si](C)(Cl)Cl","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","National Cancer Institute","No","without S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,null,"Short-Term Testing Program in the National Cancer Institute (NCI), National Institutes of Health, US Department of Health and Human Services",null,"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["75-83-2","2,2-dimethylbutane;butane, 2,2-dimethyl-","C(C)(C)(C)CC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["78-38-6","diethyl ethylphosphonate;phosphonic acid, ethyl-, diethyl ester;ethylphosphonic acid, diethyl ester;78-38-6","C(C)OP(=O)(CC)OCC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates","SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Phosphonic esters","Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid (Genotox)|Structural alert for genotoxic carcinogenicity","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates","Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid","Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid|H-acceptor-path3-H-acceptor"]
["79-15-2","n-bromoacetamide;acetamide, n-bromo-","C(C)(=O)NBr","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["80-13-7","halazone;halazon;benzoic acid, 4-[(dichloroamino)sulfonyl]-;4-(dichlorosulfamoyl)benzoic acid;benzoic acid, 4-((dichloroamino)sulfonyl)-","C(=O)(O)c1ccc(S(=O)(=O)N(Cl)Cl)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["80-30-8","n-cyclohexyl-4-methylbenzenesulfonamide;n-cyclohexyl-4-methyl benzenesulfonamide;n-cyclohexyltoluene-4-sulphonamide;benzenesulfonamide, n-cyclohexyl-4-methyl-;p-toluenesulfonamide, n-cyclohexyl-","c1(S(=O)(=O)NC2CCCCC2)ccc(C)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["81-14-1","musk ketone;4'-tert-butyl-2',6'-dimethyl-3',5'-dinitroacetophenone;ethanone, 1-[4-(1,1-dimethylethyl)-2,6-dimethyl-3,5-dinitrophenyl]-;ethanone, 1- 4-(1,1-dimethylethyl)-2,6-dimethyl-3,5-dinitrophenyl -;acetophenone, 4'-tert-butyl-2',6'-dimethyl-3',5'-dinitro-;ethanone, 1-Х4-(1,1-dimethylethyl)-2,6-dimethyl-3,5-dinitrophenylе-;1-(4-tert-butyl-2,6-dimethyl-3,5-dinitrophenyl)ethanone;1-[4-(1,1-dimethylethyl)-2,6-dimethyl-3,5-dinitrophenyl]ethanone;ethanone, 1-(4-(1,1-dimethylethyl)-2,6-dimethyl-3,5-dinitrophenyl)-","C(C)(=O)c1c(C)c(N(=O)=O)c(C(C)(C)C)c(N(=O)=O)c1C","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","No alert found","No alert found","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","No alert found","No alert found"]
["82-62-2","3,4,6-trichloro-2-nitrophenol;3,4,6-trichloro-2-nitrophenol (dowlap);phenol, 2-nitro-3,4,6-trichloro-","c1(Cl)c(Cl)c(N(=O)=O)c(O)c(Cl)c1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","No alert found","No alert found","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","No alert found","H-acceptor-path3-H-acceptor"]
["82-86-0","acenaphthenequinone;1,2-acenaphthylenedione","c12C(=O)C(=O)c3c1c(ccc3)ccc2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Moderate Quality, Conflict","NO","National Cancer Institute","No","with S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,null,"Short-Term Testing Program in the National Cancer Institute (NCI), National Institutes of Health, US Department of Health and Human Services","Source of metabolic system - rat","No alert found","Schiff base formers|Schiff base formers >> Direct Acting Schiff Base Formers|Schiff base formers >> Direct Acting Schiff Base Formers >> Alpha-beta-dicarbonyl","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["83-26-1","2-pivaloyl-1,3-indandione;pindone;2-pivalyl-1,3-indandione;1h-indene-1,3(2h)-dione, 2-(2,2-dimethyl-1-oxopropyl)-;2-(2,2-dimethylpropanoyl)-1h-indene-1,3(2h)-dione;2-(2,2-dimethyl-1-oxopropyl)1h-idene-1,3(2h)dione","C1(=O)c2c(C(=O)C1C(=O)C(C)(C)C)cccc2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 97","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["84-58-2","2,3-dichloro-5,6-dicyano-p-benzoquinone;2,3-dichloro-5,6-dicyano-1,4-benzoquinone*;2,3-dichloro-5,6-dicyanobenzoquinone;4,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,2-dicarbonitrile;1,4-cyclohexadiene-1,2-dicarbonitrile, 4,5-dichloro-3,6-dioxo-","C(#N)C1C(=O)C(Cl)=C(Cl)C(=O)C=1C#N","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones|SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives","No alert found","Quinones (Genotox)|Structural alert for genotoxic carcinogenicity","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones|SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives","Quinones","H-acceptor-path3-H-acceptor|Quinones"]
["84-88-8","8-hydroxyquinoline-5-sulfonic acid;8-hydroxy-quinoline-5-sulfonic acid;5-quinolinesulfonic acid, 8-hydroxy-;8-hydroxyquinoline-5-sulphonic acid","c1(S(=O)(=O)O)c2c(c(O)cc1)nccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["85-98-3","n,n'-diethylcarbanilide;diethyl diphenyl urea;1,3-diethyldiphenylurea;urea, n,n’-diethyl-n,n’-diphenyl-;urea, n,n'-diethyl-n,n'-diphenyl-;n,n'-diethyl-n,n'-diphenylurea;carbanilide, n,n'-diethyl-;centralite 1;1,3-diethyl-1,3-diphenylurea;85-98-3","c1(N(C(=O)N(c2ccccc2)CC)CC)ccccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 97","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["88-16-4","2-chlorobenzotrifluoride;benzene, 1-chloro-2-(trifluoromethyl)-;chloro(trifluoromethyl)benzene;o-chlorobenzotrifluoride;2-chloro-±,±,±-trifluorotoluene;2-chloro-?,?,?-trifluorotoluene;2-chloro-alpha,alpha,alpha-trifluorotoluene;toluene, o-chloro-.alpha.,.alpha.,.alpha.-trifluoro-;1-chloro-2-(trifluoromethyl)benzene;toluene, o-chloro-alpha,alpha,alpha-trifluoro- (8ci)","C(F)(F)(F)c1c(Cl)cccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","No alert found","Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","No alert found"]
["88-88-0","2,4,6-trinitrochlorobenzene;picryl chloride;2-chloro-1,3,5-trinitrobenzene;benzene, 2-chloro-1,3,5-trinitro-","c1(N(=O)=O)c(Cl)c(N(=O)=O)cc(N(=O)=O)c1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro","Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","Nitro-aromatic","Nitro-aromatic"]
["90-33-5","beta-methylumbelliferone;7-hydroxy-4-methyl-chromen-2-one;7-hydroxy-4-methylcoumarin;hymecromone;2h-1-benzopyran-2-one, 7-hydroxy-4-methyl-;7-hydroxy-4-methyl-2h-chromen-2-one;7-hydroxy-4-methyl-2h-1-benzopyran-2-one;4-methyl-umbelliferone;7-hydroxy-4-methyl-2<i>h</i>-1-benzopyran-2-one","C1(C)c2c(cc(O)cc2)OC(=O)C=1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"Radical|Radical >> Generation of reactive oxygen species|Radical >> Generation of reactive oxygen species >> Coumarins|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Coumarins","No alert found","Coumarins and Furocoumarins (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Coumarins and Furocoumarins","Coumarins and Furocoumarins|H-acceptor-path3-H-acceptor"]
["91-44-1","7-diethylamino-4-methylcoumarin;4-methyl-7-diethylaminocoumarin;7-(diethylamino)-4-methyl-2-benzopyrone;2h-1-benzopyran-2-one, 7-(diethylamino)-4-methyl-;7-(diethylamino)-4-methyl-2h-chromen-2-one;coumarin, 7-(diethylamino)-4-methyl-","C1(C)c2c(cc(N(CC)CC)cc2)OC(=O)C=1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","Radical|Radical >> Generation of reactive oxygen species|Radical >> Generation of reactive oxygen species >> Coumarins|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Coumarins","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine","Aromatic mono-and dialkylamine (Genotox)|Coumarins and Furocoumarins (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Aromatic mono-and dialkylamine|Coumarins and Furocoumarins","Aromatic mono- and dialkylamine|Coumarins and Furocoumarins|H-acceptor-path3-H-acceptor"]
["91-84-9","pyrilamine;n-(4-methoxy-benzyl)-n',n'-dimethyl-n-pyridin-2-yl-ethane-1,2-diamine;2-[(2-dimethylaminoethyl)(p-methoxybenzyl)amino]-pyridine;mepyramine;n-(4-methoxybenzyl)-n',n'-dimethyl-n-(pyridin-2-yl)ethane-1,2-diamine;1,2-ethanediamine, n-((4-methoxyphenyl)methyl)-n',n'-dimethyl-n-2-pyridinyl- (9ci)","c1(OC)ccc(CN(c2ccccn2)CCN(C)C)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["92-59-1","n-ethyl-n-phenylbenzylamine;benzenemethanamine, n-ethyl-n-phenyl-;n-ethyl-n-phenyl benzylamine;n-benzyl-n-ethylaniline;benzylamine, n-ethyl-n-phenyl-;n-ethyl-n-phenylbenzenemethanamine;benzylamine, n-ethyl-n-phenyl- (8ci)","c1(CN(c2ccccc2)CC)ccccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes|SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine","No alert found","No alert found","No alert found","No alert found"]
["95-19-2","2-heptadecyl-1-(2-hydroxyethyl)-2-imidazoline;heptadecyl hydroxyethylimidazoline;2-(2-heptadecyl-2-imidazolin-1-yl)ethanol;1h-imidazole-1-ethanol, 2-heptadecyl-4,5-dihydro-;2-heptadecyl-3-hydroxyethylimidazoline;2-heptadecyl-4,5-dihydro-1h-imidazole;2-(2-heptadecyl-4,5-dihydro-1h-imidazol-1-yl)ethanol","C1(CCCCCCCCCCCCCCCCC)N(CCO)CCN=1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["95-46-5","o-bromotoluene;2-bromotoluene;benzene, 1-bromo-2-methyl-;toluene, o-bromo-;1-bromo-2-methylbenzene","c1(Br)c(C)cccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","No alert found","Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","No alert found"]
["96-67-3","6-amino-4-nitro-1-phenol-2-sulfonic acid;3-amino-2-hydroxy-5-nitrobenzenesulphonic acid;benzenesulfonic acid, 3-amino-2-hydroxy-5-nitro-;3-amino-2-hydroxy-5-nitrobenzenesulfonic acid","c1(S(=O)(=O)O)c(O)c(N)cc(N(=O)=O)c1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN1 >> Nitrenium ion formation >> Nitro Compounds","No alert found","No alert found","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","No alert found","H-acceptor-path3-H-acceptor"]
["97-84-7","n,n,n',n'-tetramethyl-1,3-butanediamine;n,n,n',n'-teramethyl-1,3-butanediamine;n,n,n',n',1-pentamethyltrimethylenediamine;1,3-butanediamine, n,n,n’,n’-tetramethyl-;1,3-butanediamine, n,n,n',n'-tetramethyl-;n,n,n',n'-tetramethylbutane-1,3-diamine;97-84-7","C(C)(CCN(C)C)N(C)C","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","No alert found","No alert found","No alert found","No alert found"]
["97-86-9","isobutyl methacrylate;methacrylic acid, i-butyl ester;2-propenoic acid, 2-methyl-, 2-methylpropyl ester;methacrylic acid, isobutyl ester;2-methyl-2-propenoic acid 2-methylpropyl ester","C(=O)(C(=C)C)OCC(C)C","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"No alert found","Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated esters","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["98-55-5","alpha-terpineol;3-cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-;p-menth-1-en-8-ol;3-cyclohexene-1-methanol, ?,?,4-trimethyl-;2-(4-methylcyclohex-3-en-1-yl)propan-2-ol;(1)-alpha,alpha,4-trimethylcyclohex-3-ene-1-methanol;<i>p</i>-menth-1-en-8-ol","C(C)(C)(O)C1CC=C(C)CC1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","National Cancer Institute","No","with S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,null,"Short-Term Testing Program in the National Cancer Institute (NCI), National Institutes of Health, US Department of Health and Human Services","Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["99-98-9","n,n-dimethyl-p-phenylenediamine;n,n-dimethyl-benzene-1,4-diamine;n, n-dimethyl-1,4-phenylenediamine;4-dimethylaminoaniline;4-amino-n,n-dimethylaniline;1,4-benzenediamine, n,n-dimethyl-;dimethyl-4-phenylenediamine;n,n-dimethylbenzene-1,4-diamine;n,ndimethylpphenylenediamine andits salts,whenusedasasubstanceinhairdye products;n,n-dimethyl-1,4-benzenediamine;n,n -dimethyl-p-phenylenediamine","c1(N)ccc(N(C)C)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine","Aromatic mono-and dialkylamine (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","Aromatic mono-and dialkylamine|Primary aromatic amine,hydroxyl amine and its derived esters","Aromatic mono- and dialkylamine|Primary aromatic amine, hydroxyl amine and its derived esters"]
["100-27-6","4-nitrobenzeneethanol;2-(p-nitrophenyl)ethanol;p-nitrophenethyl alcohol;4-nitrophenethyl alcohol;benzeneethanol, 4-nitro-;phenethyl alcohol, p-nitro-;2-(4-nitrophenyl)ethanol","c1(N(=O)=O)ccc(CCO)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro","Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Nitro-aromatic","Nitro-aromatic"]
["101-39-3","alpha-methylcinnamaldehyde;a-methyl-trans-cinnamaldehyde;α-methyl-trans-cinnamaldehyde;2-propenal, 2-methyl-3-phenyl-;alpha-methyl cinnamaldehyde;cinnamaldehyde, .alpha.-methyl-;(2e)-2-methyl-3-phenylprop-2-enal;2-methyl-3-phenylacrylaldehyde;α-methylcinnamaldehyde;a-methyl cinnamic aldehyde;alpha-methyl cinnamic aldehyde;101-39-3;2-methyl-3-phenyl-2-propenal","c1(C=C(C)C=O)ccccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality, Conflict","NO","P&G","No","without S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"Michael addition|Michael addition >> alpha, beta-unsaturated carabonyl compounds|Michael addition >> alpha, beta-unsaturated carabonyl compounds >> Alpha, Beta-Unsaturated Aldehydes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Alpha, Beta-Unsaturated Aldehydes","No alert found","No alert found","Michael addition|Michael addition >> alpha, beta-unsaturated carabonyl compounds|Michael addition >> alpha, beta-unsaturated carabonyl compounds >> Alpha, Beta-Unsaturated Aldehydes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Alpha, Beta-Unsaturated Aldehydes","No alert found","No alert found"]
["102-96-5","beta-nitrostyrene;styrene and beta-nitrostyrene,mixture;?-nitrostyrene;benzene, (2-nitroethenyl)-;[(e)-2-nitroethenyl]benzene;(2-nitroethenyl)benzene","c1(C=CN(=O)=O)ccccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","No alert found","No alert found","No alert found","No alert found","No alert found"]
["103-30-0","trans-stilbene;stilbene (trans);benzene, 1,1’-(1,2-ethenediyl)bis-, (e)-;benzene, 1,1'-(1e)-1,2-ethenediylbis-;1,1'-(e)-ethene-1,2-diyldibenzene;benzene, 1,1'-(1,2-ethenediyl)bis-, (e)-;benzene, 1,1'-(1,2-ethenediyl)bis-, (e)- (9ci)","c1(C=Cc2ccccc2)ccccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["104-28-9","2-ethoxyethyl p-methoxycinnamate;2-propenoic acid, 3-(4-methoxyphenyl)-, 2-ethoxy;cinnoxate;cinoxate;2-propenoic acid, 3-(4-methoxyphenyl)-, 2-ethoxyethyl ester;cinnamic acid, p-methoxy-, 2-ethoxyethyl ester;2-ethoxyethyl (2e)-3-(4-methoxyphenyl)prop-2-enoate","C(=O)(C=Cc1ccc(OC)cc1)OCCOCC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["105-58-8","diethyl carbonate;carbonic acid, diethyl ester;carbonic acid diethyl ester","C(=O)(OCC)OCC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["108-83-8","diisobutyl ketone;di-iso-butyl ketonei;2,6-dimethyl-4-heptanone;di-iso-butylketone;2,6-dimethylheptan-4-one;4-heptanone, 2,6-dimethyl-;diisobutylketone;108-83-8","C(=O)(CC(C)C)CC(C)C","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["108-83-8","diisobutyl ketone;di-iso-butyl ketonei;2,6-dimethyl-4-heptanone;di-iso-butylketone;2,6-dimethylheptan-4-one;4-heptanone, 2,6-dimethyl-;diisobutylketone;108-83-8","C(=O)(CC(C)C)CC(C)C","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["110-18-9","n,n,n',n'-tetramethylethylenediamine;n,n,n',n'-tetrame ethylenediamine;1,2-bisdimethylaminoethane;1,2-ethanediamine, n,n,n’,n’-tetramethyl-;1,2-ethanediamine, n,n,n',n'-tetramethyl-;ethylenediamine, n,n,n',n'-tetramethyl-;n,n,n',n'-tetramethylethane-1,2-diamine","C(CN(C)C)N(C)C","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"No alert found","SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["110-61-2","succinic acid;succinonitrile;butanedinitrile;110-61-2;dinitrile","C(#N)CCC#N","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["111-96-6","bis(2-methoxyethyl) ether;ethane, 1,1'-oxybis[2-methoxy-;2-methoxyethylether;2-methoxyethyl ether;bis(2-methoxyethyl)ether;diethylene glycol dimethyl ether;ethane, 1,1’-oxybis[2-methoxy-;ethane, 1,1'-oxybis 2-methoxy-;ether, bis(2-methoxyethyl);ethane, 1,1'-oxybisХ2-methoxy-;1-methoxy-2-(2-methoxyethoxy)ethane;bis(2methoxyethyl)ether (dimethoxydiglycol);ethane, 1,1'-oxybis(2-methoxy-;111-96-6","C(COCCOC)OC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["115-09-3","methylmercury chloride;mercury, chloromethyl-","C[Hg]{+}.Cl{-}","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","No strain info",null,"In Vitro mammalian cell micronucleus test","Gene mutation","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity",null,"No alert found","No alert found","Metals, oxidative stress (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","No alert found"]
["118-56-9","3,3,5-trimethylcyclohexyl salicylate;homosalate;3,3,5-trimethylcyclohexylsalicylate;benzoic acid, 2-hydroxy-, 3,3,5-trimethylcyclohexyl ester;3,3,5-trimethylcyclohexyl 2-hydroxybenzoate;salicylic acid, 3,3,5-trimethylcyclohexyl ester","C(=O)(c1c(O)cccc1)OC1CC(C)(C)CC(C)C1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["118-71-8","3-hydroxy-2-methyl-4-pyrone;4h-pyran-4-one, 3-hydroxy-2-methyl-;maltol;3-hydroxy-2-methyl-4h-pyran-4-one;118-71-8;3-hydroxy-2-methyl-4<i>h</i>-pyran-4-one","C1(=O)C(O)=C(C)OC=C1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","No alert found","alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","alpha,beta-unsaturated carbonyls","alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor"]
["119-36-8","methyl salicylate;2-hydroxy-benzoic acid methyl ester;methyl 2-hydroxybenzoate;benzoic acid, 2-hydroxy-, methyl ester;2-hydroxybenzoic acid, methyl ester;salicylic acid, methyl ester;119-36-8","C(=O)(c1c(O)cccc1)OC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["119-39-1","1(2h)-phthalazinone;1,2(h)-phthalazinone;phthalazinone;phthalazin-1(2h)-one;phthalazin-1-one","C1(=O)c2c(C=NN1)cccc2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","No alert found","Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Hydrazine","H-acceptor-path3-H-acceptor|Hydrazine"]
["120-57-0","piperonal;1,3-benzodioxole-5-carboxaldehyde;3,4-(methylenedioxy)benzaldehyde;1,3-benzodioxole-5-carbaldehyde;3,4-(methylene-dioxy)benzaldehyde;3,4-methylenedioxybenzaldehyde","c12c(cc(C=O)cc1)OCO2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Methylenedioxyphenyl","1,3-Benzodioxoles (Nongenotox)|Simple aldehyde (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity","No alert found","Simple aldehyde","H-acceptor-path3-H-acceptor|Simple aldehyde"]
["120-75-2","2-methylbenzothiazole;benzothiazole, 2-methyl-;2-methyl-1,3-benzothiazole","c12c(cccc1)N=C(C)S2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["121-47-1","metanilic acid;3-amino-benzenesulfonic acid;benzenesulfonic acid, 3-amino-;3-aminobenzenesulfonic acid;3-aminobenzenesulphonic acid","c1(S(=O)(=O)O)cc(N)ccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["121-54-0","benzethonium chloride;diisobutylphenoxyethoxyethyl dimethyl benzyl ammonium chloride;benzenemethanaminium, n,n-dimethyl-n-[2-[2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy]ethyl]-, chloride;ammonium, benzyldimethylХ2-Х2-Хp-(1,1,3,3-tetramethylbutyl)phenoxyеethoxyеethylе-, chloride;benzenemethanaminium, n,n-dimethyl-n-Х2-Х2-Х4-(1,1,3,3-tetramethylbutyl)phenoxyеethoxyеethylе-, chloride;n-benzyl-n,n-dimethyl-2-{2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy}ethanaminium chloride;n,n-dimethyl-n-[2-[2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy]ethyl]benzenemethanaminium, chloride","C(C)(C)(c1ccc(OCCOCCN{+}(C)(C)(.Cl{-})Cc2ccccc2)cc1)CC(C)(C)C","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["122-56-5","tributylborane;tri-n-butylborane;borane, tributyl-","B(CCCC)(CCCC)CCCC","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","National Cancer Institute","No","with S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,null,"Short-Term Testing Program in the National Cancer Institute (NCI), National Institutes of Health, US Department of Health and Human Services","Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["123-28-4","dilaurylthiodipropionate;propanoic acid, 3,3'-thiobis-, 1,1'-didodecyl ester;propanoic acid 3,3'-thiobis(didodecyl) ester;propanoic acid, 3,3'-thiobis-, didodecyl ester;dilauryl thiodipropionate;didodecyl 3,3'-thiodipropionate;propanoic acid, 3,3’-thiobis-, didodecyl ester;propionic acid, 3,3'-thiodi-, didodecyl ester;didodecyl 3,3'-sulfanediyldipropanoate","C(=O)(CCSCCC(=O)OCCCCCCCCCCCC)OCCCCCCCCCCCC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["124-02-7","diallylamine;diallyl-amine;n-2-propenyl-2-propen-1-amine;1-allylaminoprop-2-ene;2-propen-1-amine, n-2-propenyl-;n-(prop-2-en-1-yl)prop-2-en-1-amine;124-02-7","C(=C)CNCC=C","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 97","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["126-27-2","oxethazaine;oxetacaine;2,2'-[(2-hydroxyethyl)imino]bis[n-methyl-n-(2-methyl-1-phenylpropan-2-yl)acetamide];acetamide, 2,2'-[(2-hydroxyethyl)imino]bis[n-(1,1-dimethyl-2-phenylethyl)-n-methyl]-;acetamide, 2,2'-((2-hydroxyethyl)imino)bis(n-(alpha,alpha-dimethylphenethyl)-n-methyl-;126-27-2","c1(CC(C)(C)N(C)C(=O)CN(CC(=O)N(C)C(C)(C)Cc2ccccc2)CCO)ccccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes|SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["128-08-5","n-bromosuccinimide;2,5-pyrrolidinedione, 1-bromo-;succinimide, n-bromo-;1-bromopyrrolidine-2,5-dione;succinimide, n-bromo- (8ci)","C1(=O)CCC(=O)N1Br","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","National Cancer Institute","No","with S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,null,"Short-Term Testing Program in the National Cancer Institute (NCI), National Institutes of Health, US Department of Health and Human Services","Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["130-26-7","iodochlorohydroxyquinoline;5-chloro-7-iodo-quinolin-8-ol;8-quinolinol, 5-chloro-7-iodo-;clioquinol;5-chloro-7-iodoquinolin-8-ol;5-chloro-7-iodo-8-quinolinol","c1(I)c(O)c2c(c(Cl)c1)cccn2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["133-18-6","phenethyl anthranilate;benzoic acid, 2-amino-, 2-phenylethyl ester;anthranilic acid, phenethyl ester;2-phenylethyl 2-aminobenzoate","C(=O)(c1c(N)cccc1)OCCc1ccccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes|SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Primary aromatic amine,hydroxyl amine and its derived esters","H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters"]
["134-20-3","methyl anthranilate;2-aminobenzoic acid;2-amino-benzoic acid methyl ester;2-methoxycarbonyl-aniline;benzoic acid, 2-amino-, methyl ester;anthranilic acid, methyl ester;methyl 2-aminobenzoate;methyl anthralinate;134-20-3;me ester","C(=O)(c1c(N)cccc1)OC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Primary aromatic amine,hydroxyl amine and its derived esters","H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters"]
["140-03-4","methyl acetyl ricinoleate;methyl acetylricinolate;methyl o-acetylricinoleate;9-octadecenoic acid, 12-(acetyloxy)-, methyl ester, [r-(z)]-;9-octadecenoic acid, 12-(acetyloxy)-, methyl ester, (9z,12r)-;methyl (9z,12r)-12-(acetyloxy)octadec-9-enoate;ricinoleic acid acetate, methyl ester;9-octadecenoic acid, 12-(acetyloxy)-, methyl ester, (r-(z))- (9ci)","C(=O)(CCCCCCCC=CCC(CCCCCC)OC(C)=O)OC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Specific Acetate Esters|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Specific Acetate Esters|SN2|SN2 >> Acylating agents|SN2 >> Acylating agents >> Specific Acetate Esters|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Specific Acetate Esters","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["141-84-4","rhodanine;4-thiazolidinone, 2-thioxo-;2-thioxo-4-thiazolidinone;2-thioxo-1,3-thiazolidin-4-one;141-84-4","C1(=O)CSC(=S)N1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["142-78-9","laurylethanolamide;lauryl ethanolamide;n-(2-hydroxyethyl)dodecanamide;dodecanamide, n-(2-hydroxyethyl)-;n-lauroylethanolamine [nae]","C(=O)(CCCCCCCCCCC)NCCO","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["144-82-1","sulfamethizole;sulfamethiazole;benzenesulfonamide, 4-amino-n-(5-methyl-1,3,4-thiadiazol-2-yl)-;4-amino-n-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;144-82-1","c1(S(=O)(=O)NC2=NN=C(C)S2)ccc(N)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Benzenesulfonic ethers, methylation (Nongenotox)|Hydrazine (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","Hydrazine|Primary aromatic amine,hydroxyl amine and its derived esters","H-acceptor-path3-H-acceptor|Hydrazine|Primary aromatic amine, hydroxyl amine and its derived esters"]
["147-47-7","1,2-dihydro-2,2,4-trimethylquinoline;1,2-dihydro-2,2,4-trimethylquinoline (monomer);quinoline, 1,2-dihydro-2,2,4-trimethyl-;2,2,4-trimethyl-1,2-dihydroquinoline;147-47-7","C1(C)c2c(cccc2)NC(C)(C)C=1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Secondary aromatic amine","No alert found","No alert found","No alert found","No alert found"]
["151-18-8","3-aminopropionitrile;3-amino-propionitrile;propanenitrile, 3-amino-;1-amino-2-cyano-ethane;3-aminopropiononitrile;propionitrile, 3-amino-;aminopropionitrile;3-aminopropanenitrile;beta-aminopropionitrile;nitrile;3-aminopropanoic acid","C(#N)CCN","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","National Cancer Institute","No","with S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,null,"Short-Term Testing Program in the National Cancer Institute (NCI), National Institutes of Health, US Department of Health and Human Services","Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["195-27-7","5,8-diazabenzophenanthrene;dibenzo(c,f)(2,7)naphthyridine","c12c(c3c4c(cccc4)ncc3cn1)cccc2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Hansen K. et al.","No","No S9 info","J. Chem. Inf. Model., 2009, 49 (9), pp 2077–2081","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",2009,"No information for Salmonella thyphimurium strain and S9 metabolic activation",null,null,"No alert found","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1","Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Heterocyclic Polycyclic Aromatic Hydrocarbons","Heterocyclic Polycyclic Aromatic Hydrocarbons"]
["212-54-4","13h-indeno[1,2-c]phenanthrene;13h-indeno(1,2-c)phenanthrene","c12-c3c(c4c5c(ccc4cc3)cccc5)Cc1cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1","Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons"]
["301-13-3","tris(2-ethylhexyl) phosphite;tris (2-ethylhexyl) phosphite;tris(2-ethylhexyl) ester phosphorous acid;phosphorous acid, tris(2-ethylhexyl) ester;tri-(2-ethylhexyl)phosphite;1-hexanol, 2-ethyl-, phosphite (3:1) (7ci)","C(CCCC)(CC)COP(OCC(CCCC)CC)OCC(CCCC)CC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","No alert found","Structural alert for nongenotoxic carcinogenicity|Substituted n-alkylcarboxylic acids (Nongenotox)","No alert found","No alert found","No alert found"]
["315-22-0","monocrotaline;(3r,4r,5r,13ar,13br)-4,5-dihydroxy-3,4,5-trimethyl-4,5,8,10,12,13,13a,13b-octahydro-2h-[1,6]dioxacycloundecino[2,3,4-gh]pyrrolizine-2,6(3h)-dione;20-norcrotalanan-11,15-dione, 14,19-dihydro-12,13-dihydroxy-, (13-alpha,14-alpha)- (9ci)","C1(=O)C(C)(O)C(C)(O)C(C)C(=O)OC2C3C(=CCN3CC2)CO1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","with S9","Mutation Research 584 (2005) 1-256","No strain info",null,"In Vitro mammalian cell micronucleus test","Gene mutation","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity",null,"No alert found","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Pyrrolizidine alkaloids|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","Pyrrolizidine alkaloids (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["346-18-9","polythiazide;6-chloro-2-methyl-3-{[(2,2,2-trifluoroethyl)sulfanyl]methyl}-3,4-dihydro-2h-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide","c1(Cl)c(S(N)(=O)=O)cc2c(c1)NC(CSCC(F)(F)F)N(C)S2(=O)=O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Secondary aromatic amine","Benzenesulfonic ethers, methylation (Nongenotox)|Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["357-57-3","brucine;strychnidin-10-one, 2,3-dimethoxy-;2,3-dimethoxystrychnidin-10-one","C123c4c(cc(OC)c(OC)c4)N4C(=O)CC5C(C6C(=CCO5)CN(C1C6)CC2)C34","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["372-47-4","3-fluoropyridine;3-fluoro-pyridine;pyridine, 3-fluoro- (8ci)(9ci)","c1(F)cccnc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["420-12-2","ethylene sulfide;epithioethane;thiirane;420-12-2","C1CS1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","National Cancer Institute","No","with S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,null,"Short-Term Testing Program in the National Cancer Institute (NCI), National Institutes of Health, US Department of Health and Human Services","Source of metabolic system - rat","No alert found","SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Sulfuranes","No alert found","No alert found","No alert found","No alert found"]
["463-40-1","linolenic acid;9,12,15-octadecatrienoic acid, (z,z,z)-;9,12,15-octadecatrienoic acid, (9z,12z,15z)-;(9z,12z,15z)-octadeca-9,12,15-trienoic acid;(z,z,z,)-9,12,15-octadecatrienoic acid;linolenic acid (8ci)","C(=O)(O)CCCCCCCC=CCC=CCC=CCC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","National Cancer Institute","No","without S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,null,"Short-Term Testing Program in the National Cancer Institute (NCI), National Institutes of Health, US Department of Health and Human Services",null,"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["476-66-4","ellagic acid;2,3,7,8-tetrahydroxychromeno[5,4,3-cde]chromene-5,10-dione;2,3,7,8-tetrahydroxy[1]benzopropyrano[5,4,3-cde][1]benzopyran-5,10-dione;(1)benzopyrano(5,4,3-cde)(1)benzopyran-5,10-dione, 2,3,7,8-tetrahydroxy-","C1(=O)c2c3-c4c(C(=O)Oc3c(O)c(O)c2)cc(O)c(O)c4O1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","National Cancer Institute","No","without S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,null,"Short-Term Testing Program in the National Cancer Institute (NCI), National Institutes of Health, US Department of Health and Human Services",null,"No alert found","No alert found","o-phenylphenol (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["476-71-1","domesticine;domestici","c12-c3c(O)c(OC)cc4c3C(Cc1cc1c(c2)OCO1)N(C)CC4","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Hansen K. et al.","No","No S9 info","J. Chem. Inf. Model., 2009, 49 (9), pp 2077–2081","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",2009,"No information for Salmonella thyphimurium strain and S9 metabolic activation",null,null,"No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Alkyl phenols|SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","1,3-Benzodioxoles (Nongenotox)|o-phenylphenol (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["485-47-2","ninhydrin;1h-indene-1,3(2h)-dione, 2,2-dihydroxy-;1,3-indandione, 2,2-dihydroxy-","C1(=O)C(O)(O)C(=O)c2c1cccc2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality, Conflict","NO","P&G","No","with S9",null,"TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["485-47-2","ninhydrin;1h-indene-1,3(2h)-dione, 2,2-dihydroxy-;1,3-indandione, 2,2-dihydroxy-","C1(=O)C(O)(O)C(=O)c2c1cccc2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality, Conflict","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["498-21-5","methylsuccinic acid;(r)-2-methyl-succinic acid;methyl succinic acid;butanedioic acid, methyl-;2-methylbutanedioic acid","C(=O)(O)C(C)CC(=O)O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["501-52-0","3-phenylpropanoic acid;3-phenyl-propionic acid;beta-phenylpropionic acid;benzenepropanoic acid;hydrocinnamic acid;beta-phenyl-propionic acid;3-phenylpropionic acid;hydrocinnamic acid (8ci)","c1(CCC(=O)O)ccccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["505-22-6","1,3-dioxane","C1CCOCO1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["521-31-3","3-aminophthalylhydrazide;1,4-phthalazinedione, 5-amino-2,3-dihydro-;luminol;o-aminophthalyl hydrazide;5-amino-1,2,3,4-tetrahydrophthalazine-1,4-dione;5-amino-2,3-dihydrophthalazine-1,4-dione;5-amino-2,3-dihydro-1,4-phthalazinedione","C1(=O)c2c(C(=O)NN1)c(N)ccc2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Hydrazine (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Hydrazine|Primary aromatic amine,hydroxyl amine and its derived esters","H-acceptor-path3-H-acceptor|Hydrazine|Primary aromatic amine, hydroxyl amine and its derived esters"]
["523-66-0","evolitrine;furo(2,3-b)quinoline, 4,7-dimethoxy-","c12c(c(OC)c3c(cc(OC)cc3)n1)C=CO2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"No alert found","No alert found","Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Heterocyclic Polycyclic Aromatic Hydrocarbons","Heterocyclic Polycyclic Aromatic Hydrocarbons"]
["527-85-5","2-methylbenzamide;o-toluamide;benzamide, 2-methyl-","C(N)(=O)c1c(C)cccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["535-80-8","m-chlorobenzoic acid;3-chloro-benzoic acid;m-chloro-benzoic acid;3-chlorobenzoic acid;benzoic acid, 3-chloro-","C(=O)(O)c1cc(Cl)ccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","No alert found","Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["535-80-8","m-chlorobenzoic acid;3-chloro-benzoic acid;m-chloro-benzoic acid;3-chlorobenzoic acid;benzoic acid, 3-chloro-","C(=O)(O)c1cc(Cl)ccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","No alert found","Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["538-74-9","benzyl sulfide;dibenzyl sulphide;benzene, 1,1'-[thiobis(methylene)]bis-;1,1'-(sulfanediyldimethanediyl)dibenzene;benzene, 1,1'-(thiobis(methylene))bis-","c1(CSCc2ccccc2)ccccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes","No alert found","No alert found","No alert found","No alert found"]
["555-68-0","3-nitrocinnamic acid;(e)-3-(3-nitro-phenyl)-acrylic acid;m-nitrocinnamic acid;m-nitro-cinnamic acid;2-propenoic acid, 3-(3-nitrophenyl)-;(2e)-3-(3-nitrophenyl)prop-2-enoic acid","C(=O)(O)C=Cc1cc(N(=O)=O)ccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","N/A","YES","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro","Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Nitro-aromatic","H-acceptor-path3-H-acceptor|Nitro-aromatic"]
["563-04-2","tri-m-cresyl phosphate;phosphoric acid, tris(3-methylphenyl) ester;tri-m-tolyl phosphate;phosphoric acid, tri-m-tolyl ester;tris(3-methylphenyl) phosphate","c1(OP(=O)(Oc2cc(C)ccc2)Oc2cc(C)ccc2)cc(C)ccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["570-74-1","cholest-5-ene","C12C(C)(C3C(C4C(C)(C(C(C)CCCC(C)C)CC4)CC3)CC=1)CCCC2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","N/A","YES","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["583-39-1","2h-benzimidazole-2-thione, 1,3-dihydro-;2-mercaptobenzimidazole","c12c(cccc1)NC(=S)N2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives","No alert found","Structural alert for nongenotoxic carcinogenicity|Thiocarbonyl (Nongenotox)","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["591-17-3","m-bromotoluene;3-bromotoluene;benzene, 1-bromo-3-methyl-;toluene, m-bromo-;1-bromo-3-methylbenzene","c1(Br)cc(C)ccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","No alert found","Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","No alert found"]
["594-72-9","1,1-dichloro-1-nitroethane;1-nitro-1,1-dichloroethane;ethane, 1,1-dichloro-1-nitro-;594-72-9","C(C)(Cl)(Cl)N(=O)=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 97","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","No alert found","No alert found","No alert found","No alert found","No alert found"]
["603-02-1","2,4-dinitro-m-xylene;benzene, 1,3-dimethyl-2,4-dinitro-;1,3-dimethyl-2,4-dinitrobenzene;m-xylene, 2,4-dinitro-","c1(N(=O)=O)c(C)c(N(=O)=O)c(C)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","No alert found","No alert found","No alert found","No alert found","No alert found"]
["609-15-4","ethyl 2-chloroacetoacetate;ethyl-2-chloroacetoacetate;butanoic acid, 2-chloro-3-oxo-, ethyl ester;acetoacetic acid, 2-chloro-, ethyl ester;ethyl 2-chloro-3-oxobutanoate;acetoacetic acid, 2-chloro-, ethyl ester (8ci)","C(=O)(C(Cl)C(C)=O)OCC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Moderate Quality, Conflict","NO","National Cancer Institute","No","with S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,null,"Short-Term Testing Program in the National Cancer Institute (NCI), National Institutes of Health, US Department of Health and Human Services","Source of metabolic system - rat","No alert found","No alert found","Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Aliphatic halogens","Aliphatic halogen|H-acceptor-path3-H-acceptor"]
["609-31-4","2-nitro-1-butanol;2-nitrobutan-1-ol;1-butanol, 2-nitro-","C(CC)(CO)N(=O)=O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["612-58-8","3-methylquinoline;3-methyl-quinoline;quinoline, 3-methyl-","c12c(cc(C)cn1)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["613-93-4","n-methylbenzamide;benzoicacid, monomethylamid;benzamide, n-methyl-","C(=O)(c1ccccc1)NC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["616-23-9","2,3-dichloro-1-propanol;2,3-dichloropropanol;dichloropropanol, 2,3-;2,3-dichloropropan-1-ol;1-propanol, 2,3-dichloro-","C(Cl)(CO)CCl","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"Elimination (E2)|Elimination (E2) >> E2 elimination reaction with epoxide formation|Elimination (E2) >> E2 elimination reaction with epoxide formation >> Haloalcohols|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Haloalcohols|SN2|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation >> Vicinal Dihaloalkanes","SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> 1,2-Dihaloalkanes","Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity","Elimination (E2)|Elimination (E2) >> E2 elimination reaction with epoxide formation|Elimination (E2) >> E2 elimination reaction with epoxide formation >> Haloalcohols|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Haloalcohols|SN2|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation >> Vicinal Dihaloalkanes","Aliphatic halogens","Aliphatic halogen"]
["623-17-6","furfuryl acetate;2-furanmethanol, acetate;furfural acetate;furfuryl alcohol, acetate;furan-2-ylmethyl acetate;2-furanmethanol, 2-acetate","C1(COC(C)=O)=CC=CO1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Specific Acetate Esters|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Specific Acetate Esters|SN2|SN2 >> Acylating agents|SN2 >> Acylating agents >> Specific Acetate Esters|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Specific Acetate Esters","Michael addition|Michael addition >> P450 Mediated Activation of Heterocyclic Ring Systems|Michael addition >> P450 Mediated Activation of Heterocyclic Ring Systems >> Furans","No alert found","Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Specific Acetate Esters|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Specific Acetate Esters|SN2|SN2 >> Acylating agents|SN2 >> Acylating agents >> Specific Acetate Esters|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Specific Acetate Esters","No alert found","H-acceptor-path3-H-acceptor"]
["627-72-5","s-(1,2-dichlorovinyl)-l-cysteine;s-<(e)-1,2-dichloro-vinyl>-l-cysteine","C(=O)(O)C(N)CSC(Cl)=CCl","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","N/A","YES","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["637-69-4","4-methoxystyrene;benzene, 1-ethenyl-4-methoxy-;4-vinylanisole;1-ethenyl-4-methoxybenzene;benzene, 1-ethenyl-4-methoxy- (9ci)","c1(C=C)ccc(OC)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","National Cancer Institute","No","without S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,null,"Short-Term Testing Program in the National Cancer Institute (NCI), National Institutes of Health, US Department of Health and Human Services",null,"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["644-21-3","n-ethyl-n-phenylhydrazine;hydrazine, 1-ethyl-1-phenyl-;1-ethyl-1-phenylhydrazine","c1(N(N)CC)ccccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Moderate Quality","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"Nucleophilic addition|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization >> Hydrazine Derivatives|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Hydrazine Derivatives","No alert found","Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Hydrazine","H-acceptor-path3-H-acceptor|Hydrazine"]
["645-62-5","2-ethyl-2-hexenal;2-ethyl-hex-2-enal;2-ethylhex-2-enal;2-hexenal, 2-ethyl-;2-ethyl-2-hexenal,","C(C=O)(=CCCC)CC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","Michael addition|Michael addition >> alpha, beta-unsaturated carabonyl compounds|Michael addition >> alpha, beta-unsaturated carabonyl compounds >> Alpha, Beta-Unsaturated Aldehydes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Alpha, Beta-Unsaturated Aldehydes","Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated aldehydes","alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity","Michael addition|Michael addition >> alpha, beta-unsaturated carabonyl compounds|Michael addition >> alpha, beta-unsaturated carabonyl compounds >> Alpha, Beta-Unsaturated Aldehydes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Alpha, Beta-Unsaturated Aldehydes","alpha,beta-unsaturated carbonyls","alpha,beta-unsaturated carbonyls"]
["688-74-4","tributyl borate;butyl borate;boric acid (h3bo3), tributyl ester;boric acid, (h3bo3), tributyl ester","B(OCCCC)(OCCCC)OCCCC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["700-00-5","9-methyladenine;9h-purin-6-amine, 9-methyl-;adenine, 9-methyl- (8ci)","c1(N)c2c(N(C)C=N2)ncn1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Moderate Quality","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","No alert found","Imidazole, benzimidazole (Nongenotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity","No alert found","Primary aromatic amine,hydroxyl amine and its derived esters","H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters"]
["762-72-1","allyltrimethylsilane;silane, trimethyl-2-propenyl-;silane, allyltrimethyl-;trimethyl(prop-2-en-1-yl)silane","C(=C)C[Si](C)(C)C","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","National Cancer Institute","No","with S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,null,"Short-Term Testing Program in the National Cancer Institute (NCI), National Institutes of Health, US Department of Health and Human Services","Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["773-76-2","5,7-dichloro-8-hydroxyquinoline;5,7-dichloro-quinolin-8-ol;8-quinolinol, 5,7-dichloro-;5,7-dichloroquinolin-8-ol;chloroxine","c1(Cl)c(O)c2c(c(Cl)c1)cccn2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["781-43-1","9,10-dimethylanthracene;anthracene, 9,10-dimethyl-","c1(C)c2c(c(C)c3c1cccc3)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition","Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons"]
["931-97-5","cyclohexanone cyanohydrin;cyclohexanecarbonitrile, 1-hydroxy-;1-hydroxy-1-cyclohexanecarbonitrile;1-hydroxycyclohexanecarbonitrile","C(#N)C1(O)CCCCC1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["931-97-5","cyclohexanone cyanohydrin;cyclohexanecarbonitrile, 1-hydroxy-;1-hydroxy-1-cyclohexanecarbonitrile;1-hydroxycyclohexanecarbonitrile","C(#N)C1(O)CCCCC1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["962-32-3","5,6-dihydroxybenz[a]anthracene 5,6-oxide;benz(a)anthracene, 5,6-epoxy-5,6-dihydro-;benz(3,4)anthra(1,2-b)oxirene, 1a,11b-dihydro- (9ci)","c12-c3c(C4C(c1cc1c(cccc1)c2)O4)cccc3","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines","SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides","Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines","Epoxides and aziridines","Epoxides and aziridines"]
["1024-41-5","benzyl tosylate","c1(S(=O)(=O)OCc2ccccc2)ccc(C)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Hansen K. et al.","No","No S9 info","J. Chem. Inf. Model., 2009, 49 (9), pp 2077–2081","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",2009,"No information for Salmonella thyphimurium strain and S9 metabolic activation",null,null,"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Sulfonates and Sulfates","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes","Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid (Genotox)|Benzenesulfonic ethers, methylation (Nongenotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Sulfonates and Sulfates","Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid","Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid|H-acceptor-path3-H-acceptor"]
["1034-41-9","chlordecone alcohol;1,3,4-metheno-1h-cyclobuta(cd)pentalen-2-ol, 1,1a,3,3a,4,5,5,5a,5b,6-decachlorooctahydro-","C12(Cl)C3(Cl)C4(Cl)C(Cl)(Cl)C5(Cl)C(Cl)(C(Cl)(C35Cl)C1O)C24Cl","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"SN2|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation >> Vicinal Dihaloalkanes","No alert found","(Poly) Halogenated Cycloalkanes (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","No alert found"]
["1126-61-0","hydroxychavicol;1,2-benzenediol, 4-(2-propenyl)-","c1(O)c(O)cc(CC=C)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Moderate Quality","NO","P&G","No","with S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones|SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Allyl benzenes","Alkylbenzenes (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["1143-38-0","anthralin;1,8-dihydroxy-9(10h)-anthracenone;cignolin;1,8-dihydroxyanthrone;1,8-dihydroxyanthracen-9(10h)-one;9(10h)-anthracenone, 1,8-dihydroxy-;9(10h)-anthracenone,1,8-dihydroxy-;9(10h)-anthracenone, 1,8-dihydroxy- (9ci)","c12C(=O)c3c(O)cccc3Cc1cccc2O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["1187-42-4","diaminomaleonitrile;2-butenedinitrile, 2,3-diamino-, (2z)-;2-butenedinitrile, 2,3-diamino-, (z)-;maleonitrile, diamino-;(2z)-2,3-diaminobut-2-enedinitrile;maleonitrile, diamino- (8ci)","C(#N)C(N)=C(N)C#N","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 97","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["1239-45-8","ethidium bromide;homidium bromide [ban:inn]","c1(-c2c3c(c4c(cc(N)cc4)n{+}2(.Br{-})CC)ccc(N)c3)ccccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality, Conflict","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","Heterocyclic Polycyclic Aromatic Hydrocarbons|Primary aromatic amine,hydroxyl amine and its derived esters","Heterocyclic Polycyclic Aromatic Hydrocarbons|Primary aromatic amine, hydroxyl amine and its derived esters"]
["1333-82-0","chromium oxide (cro3);chromium trioxide, sintered;chromium trioxide;chromium oxide;chromium oxide, (cro3);trioxochromium","O=[Cr](=O)=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"No alert found","No alert found","Metals, oxidative stress (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","No alert found"]
["1421-63-2","2'4'5'-trihydroxybutyrophenone;2,4,5-trihydroxybutyrophenone;2',4',5'-trihydroxybutyrophenone;1-butanone, 1-(2,4,5-trihydroxyphenyl)-;1-(2,4,5-trihydroxyphenyl)butan-1-one","C(=O)(c1c(O)cc(O)c(O)c1)CCC","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["1467-79-4","dimethylcyanamide;dimethyl cyanamide;cyanamide, dimethyl-;1467-79-4","C(#N)N(C)C","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","No alert found","No alert found","No alert found","No alert found"]
["1571-08-0","methyl p-formylbenzoate;methyl-p-formyl benzoate;methyl 4-formylbenzoate;benzoic acid, 4-formyl-, methyl ester;terephthalaldehydic acid, methyl ester","C(=O)(c1ccc(C=O)cc1)OC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 97","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","No alert found","Simple aldehyde (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Simple aldehyde","H-acceptor-path3-H-acceptor|Simple aldehyde"]
["1606-67-3","1-aminopyrene;1-pyrenamine;pyren-1-ylamine;pyren-1-amine;1606-67-3","c12c3c4c(c(N)ccc4ccc3ccc1)cc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Polycyclic Aromatic Hydrocarbons (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons|Primary aromatic amine,hydroxyl amine and its derived esters","Polycyclic Aromatic Hydrocarbons|Primary aromatic amine, hydroxyl amine and its derived esters"]
["1609-47-8","diethyl pyrocarbonate;pyrocarbonic acid diethyl ester;dicarbonic acid, diethyl ester;formic acid, oxydi-, diethyl ester;diethyl dicarbonate;1609-47-8","C(=O)(OC(=O)OCC)OCC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["1672-88-4","1-((3-(5-nitro-2-furyl)allylidene)amino)hydantoin;2,4-imidazolidinedione, 1-((3-(5-nitro-2-furanyl)-2-propenylidene)amino)- (9ci)","C1(C=CC=NN2C(=O)NC(=O)C2)=CC=C(N(=O)=O)O1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","N/A","YES","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Unsaturated heterocyclic nitro","Hydrazine (Genotox)|Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","Hydrazine|Nitro-aromatic","H-acceptor-path3-H-acceptor|Hydrazine|Nitro-aromatic"]
["1732-23-6","2-aminopyrene","c12c3c4c(cc(N)cc4ccc3ccc1)cc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Polycyclic Aromatic Hydrocarbons (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons|Primary aromatic amine,hydroxyl amine and its derived esters","Polycyclic Aromatic Hydrocarbons|Primary aromatic amine, hydroxyl amine and its derived esters"]
["1795-83-1","n-hydroxy-n-phenylacetamide;n-hydroxy-n-phenyl-acetamide;acetamide, n-hydroxy-n-phenyl-","c1(N(O)C(C)=O)ccccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Moderate Quality","NO","Hansen K. et al.","No","No S9 info","J. Chem. Inf. Model., 2009, 49 (9), pp 2077–2081","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",2009,"No information for Salmonella thyphimurium strain and S9 metabolic activation",null,null,"SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> N-hydroxylamines","No alert found","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Primary aromatic amine,hydroxyl amine and its derived esters","H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters"]
["1806-54-8","tris(2-ethylhexyl) phosphate;tri-n-octyl phosphate;trioctyl phosphate;phosphoric acid, trioctyl ester","C(CCCCCCC)OP(=O)(OCCCCCCCC)OCCCCCCCC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 97","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates","No alert found","No alert found","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates","No alert found","H-acceptor-path3-H-acceptor"]
["1875-48-5","n-aminophthalamide;n-aminophthalimide;2-amino-1h-isoindole-1,3(2h)-dione;phthalimide, n-amino- (8ci)","C1(=O)c2c(C(=O)N1N)cccc2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"Nucleophilic addition|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization >> Hydrazine Derivatives|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Hydrazine Derivatives","No alert found","Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Hydrazine","H-acceptor-path3-H-acceptor|Hydrazine"]
["2052-07-05","2-bromobiphenyl;o-bromobiphenyl;1,1'-biphenyl, 2-bromo-;biphenyl, 2-bromo-","c1(-c2c(Br)cccc2)ccccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["2052-07-05","2-bromobiphenyl;o-bromobiphenyl;1,1'-biphenyl, 2-bromo-;biphenyl, 2-bromo-","c1(-c2c(Br)cccc2)ccccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["2113-57-7","3-bromobiphenyl;1,1'-biphenyl, 3-bromo-;biphenyl, 3-bromo-","c1(-c2cc(Br)ccc2)ccccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["2164-08-01","lenacil;lambda-cyhalothrin;3-cyclohexyl-6,7-dihydro-1h-cyclopenta[d]pyrimidine-2,4(3h,5h)-dione;3-cyclohexyl-6,7-dihydro-1h-cyclopentapyrimidine-2,4(3h,5h)-dione;1h-cyclopentapyrimidine-2,4(3h,5h)-dione, 6,7-dihydro-3-cyclohexyl-","C1(=O)C2=C(CCC2)NC(=O)N1C1CCCCC1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives","SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["2186-24-5","p-cresyl glycidyl ether;[(p-tolyloxy)methyl]oxirane;p-cresol glycidyl ether;glycidyl p-tolyl ether;2-[(4-methylphenoxy)methyl]oxirane;[(ptolyloxy)methyl]oxirane","c1(OCC2CO2)ccc(C)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","N/A","YES","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines","SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides","Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines","Epoxides and aziridines","Epoxides and aziridines|H-acceptor-path3-H-acceptor"]
["2213-63-0","2,3-dichloroquinoxaline;quinoxaline, 2,3-dichloro-;2213-63-0","c12c(cccc1)nc(Cl)c(Cl)n2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["2397-76-4","neopentyl methacrylate;neopenthylmethacrylat (in german);2-propenoic acid, 2-methyl-, 2,2-dimethylpropyl ester","C(=O)(C(=C)C)OCC(C)(C)C","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"No alert found","Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated esters","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["2461-43-0","2-benzylphenyl glycidyl ether;propane, 1,2-epoxy-3-((alpha-phenyl-o-tolyl)oxy)- (7ci,8ci)","c1(OCC2CO2)c(Cc2ccccc2)cccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","N/A","YES","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes|SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides","Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines","Epoxides and aziridines","Epoxides and aziridines|H-acceptor-path3-H-acceptor"]
["2481-94-9","4-(diethylamino)azobenzene;c.i. solvent yellow 56;benzenamine, n,n-diethyl-4-(phenylazo)-;n,n-diethyl-p-(phenylazo)aniline;n,n-diethyl-4-(phenyldiazenyl)aniline;c.i. solvent yellow 56 (8ci)","c1(N=Nc2ccccc2)ccc(N(CC)CC)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","No alert found","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic azo|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine","Aromatic diazo (Genotox)|Aromatic mono-and dialkylamine (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Aromatic diazo|Aromatic mono-and dialkylamine","Aromatic diazo|Aromatic mono- and dialkylamine|H-acceptor-path3-H-acceptor"]
["2508-20-5","2-nitrosofluorene;fluorene, 2-nitroso-;9h-fluorene, 2-nitroso-","c12-c3c(cc(N=O)cc3)Cc1cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitroso","Aromatic nitroso group (Genotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","Aromatic nitroso group|Polycyclic Aromatic Hydrocarbons","Aromatic nitroso group  |H-acceptor-path3-H-acceptor|Polycyclic Aromatic Hydrocarbons"]
["2675-77-6","chloroneb;1,4-dichloro-2,5-dimethoxybenzene;benzene, 1,4-dichloro-2,5-dimethoxy-;2675-77-6","c1(Cl)c(OC)cc(Cl)c(OC)c1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones","Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","No alert found"]
["2719-05-03","n,n'-diacetyl-4,4'-diaminodiphenylmethane","c1(NC(C)=O)ccc(Cc2ccc(NC(C)=O)cc2)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"No alert found","No alert found","Aromatic N-acyl amine (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Aromatic N-acyl amine","Aromatic N-acyl amine|H-acceptor-path3-H-acceptor"]
["2846-29-9","3beta-hydroxycholest-5-ene-7alpha-hydroperoxide;cholest-5-en-3-ol, 7-hydroperoxy-, (3-beta,7-alpha)-","C12C(C)(C3C(C4C(C)(C(C(C)CCCC(C)C)CC4)CC3)C(OO)C=1)CCC(O)C2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","N/A","YES","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Organic Peroxy Compounds","No alert found","No alert found","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Organic Peroxy Compounds","No alert found","H-acceptor-path3-H-acceptor"]
["2892-51-5","3,4-dihydroxy-3-cyclobutene-1,2-dione;3,4-dihydroxy-cyclobut-3-ene-1,2-dione;3-cyclobutene-1,2-dione, 3,4-dihydroxy-;cyclobutenedione, dihydroxy-;squaric acid;3,4-dihydroxycyclobut-3-ene-1,2-dione;cyclobutenedione, dihydroxy- (8ci)","C1(=O)C(=O)C(O)=C1O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"No alert found","No alert found","alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","alpha,beta-unsaturated carbonyls","alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor"]
["2942-42-9","7-nitroindazole;7-nitro-1h-indazole;1h-indazole, 7-nitro-","c1(N(=O)=O)c2c(C=NN2)ccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality, Conflict","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro","Hydrazine (Genotox)|Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","Hydrazine|Nitro-aromatic","H-acceptor-path3-H-acceptor|Hydrazine|Nitro-aromatic"]
["3054-60-2","n-p-methylphenyl-d-xylosylamine;xylopyranosylamine, n-p-tolyl-, d- (8ci)","c1(NC2C(O)C(O)C(O)CO2)ccc(C)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","N/A","YES","Hansen K. et al.","No","No S9 info","J. Chem. Inf. Model., 2009, 49 (9), pp 2077–2081","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",2009,"No information for Salmonella thyphimurium strain and S9 metabolic activation",null,null,"No alert found","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Secondary aromatic amine","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["3081-14-9","n,n'-bis(1,4-dimethylpentyl)-p-phenylenediamine;1,4-benzenediamine, n,n’-bis(1,4-dimethylpentyl)-;1,4-benzenediamine, n,n'-bis(1,4-dimethylpentyl)-;p-phenylenediamine, n,n'-bis(1,4-dimethylpentyl)-;n,n'-bis(5-methylhexan-2-yl)benzene-1,4-diamine;1-n,4-n-bis(5-methylhexan-2-yl)benzene-1,4-diamine","c1(NC(C)CCC(C)C)ccc(NC(C)CCC(C)C)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Secondary aromatic amine","No alert found","No alert found","No alert found","No alert found"]
["3160-37-0","piperonyl acetone;4-(3,4-methylenedioxyphenyl)but-3-en-2-one;piperonal acetone;3-buten-2-one, 4-(1,3-benzodioxol-5-yl)-;4-(1,3-benzodioxol-5-yl)but-3-en-2-one;3-buten-2-one, 4-(3,4-(methylenedioxy)phenyl)- (6ci,7ci,8ci);3160-37-0","c12c(cc(C=CC(C)=O)cc1)OCO2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 97","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Methylenedioxyphenyl","1,3-Benzodioxoles (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["3179-47-3","n-decyl methacrylate;decyl methacrylate;2-propenoic acid, 2-methyl-, decyl ester;methacrylic acid, decyl ester;decyl 2-methylprop-2-enoate","C(=O)(C(=C)C)OCCCCCCCCCC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"No alert found","Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated esters","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["3268-87-9","octachlorodibenzodioxin;ocdd;1,2,3,4,6,7,8,9-ocdd;1,2,3,4,5,6,7,8-octachlorodibenzo-p-dioxin;1,2,3,4,6,7,8,9-octachlorodibenzo-p-dioxin;octachlorodibenzo-p-dioxin;octachlorodibenzodioxin (ocdd);octachlorodibenzo[b,e][1,4]dioxin;dibenzo-p-dioxin, 1,2,3,4,6,7,8,9-octachloro-;3268-87-9","c1(Cl)c(Cl)c(Cl)c(Cl)c2c1Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1O2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","No alert found","Halogenated dibenzodioxins (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","1-phenoxy-benzene|H-acceptor-path3-H-acceptor"]
["3322-93-8","1,2-dibromo-4-(1,2-dibromoethyl)cyclohexane;1-(1,2-dibromoethyl)-3,4-dibromocyclohexane;cyclohexane, 1,2-dibromo-4-(1,2-dibromoethyl)-;3322-93-8","C(Br)(C1CC(Br)C(Br)CC1)CBr","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"SN2|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation >> Vicinal Dihaloalkanes","SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> 1,2-Dihaloalkanes","(Poly) Halogenated Cycloalkanes (Nongenotox)|Aliphatic halogens (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity","No alert found","Aliphatic halogens","Aliphatic halogen"]
["3333-52-6","tetramethylsuccinonitrile;succinonitrile, tetramethyl;tetramethyl succinonitrile;butanedinitrile, 2,2,3,3-tetramethyl-;butanedinitrile, tetramethyl-;butanedinitrile, tetramethyl- (9ci);3333-52-6","C(#N)C(C)(C)C(C)(C)C#N","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["3375-84-6","kipa-oxazolidinone","C1(=O)N(CC(C)O)CC(C)O1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","National Cancer Institute","No","with S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,null,"Short-Term Testing Program in the National Cancer Institute (NCI), National Institutes of Health, US Department of Health and Human Services","Source of metabolic system - rat","No alert found","SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["3546-10-09","phenesterin;phenesterine;phenesterindine.hcl","C12C(C)(C3C(C4C(C)(C(C(C)CCCC(C)C)CC4)CC3)CC=1)CCC(OC(=O)Cc1ccc(N(CCCl)CCCl)cc1)C2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Nitrogen Mustards","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine|SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> Mustards","S or N mustard (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","S or N mustard","H-acceptor-path3-H-acceptor|S or N mustard"]
["3764-01-0","2,4,6-trichloropyrimidine;pyrimidine, 2,4,6-trichloro-","c1(Cl)cc(Cl)nc(Cl)n1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","National Cancer Institute","No","with S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,null,"Short-Term Testing Program in the National Cancer Institute (NCI), National Institutes of Health, US Department of Health and Human Services","Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["4080-31-3","n-(3-chloroallyl)hexaminium chloride;n-(3-chlorallyl) hexaminium chloride;n-(3-chloroallyl) hexaminium chloride;1-(3-chloroallyl)-3,5,7-triaza-1-azoniaadamantane chloride [dowicil 200];1-(3-chloroallyl)-3,5,7-triaza-1-azoniaadamantane chloride;methenamine 3-chloroallylochloride;3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane, 1-(3-chloro-2-propenyl)-, chloride;quaternium-15;1-(3-chloro-2-propenyl)-3,5,7-triaza-1-azoniatricyclo[3.3.1.1 3,7]decane chloride;hexamethylenetetramine chloroallyl chloride;cis-ctac/trans-ctac (dowicil 75 formulation);dowicil","C(Cl)=CCN{+}12(.Cl{-})CN3CN(CN(C3)C1)C2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","Monohaloalkene (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Monohaloalkene","Monohaloalkene"]
["4196-86-5","2,2-bis[(benzoyloxy)methyl]-1,3-propanediol dibenzoate;2,2-bis[(benzoyloxy)methyl]dibenzoate propanediol;pentaerythritol tetrabenzoate;1,3-propanediol, 2,2-bis[(benzoyloxy)methyl]-, dibenzoate;1,3-propanediol, 2,2-bis((benzoyloxy)methyl)-, dibenzoate;1,3-propanediol, 2,2-bis (benzoyloxy)methyl -, dibenzoate;pentaerythritol, tetrabenzoate;1,3-propanediol, 2,2-bisХ(benzoyloxy)methylе-, dibenzoate;3-[(phenylcarbonyl)oxy]-2,2-bis{[(phenylcarbonyl)oxy]methyl}propyl benzoate;1,3-propanediol, 2,2-bis?(benzoyloxy)methyl?-, dibenzoate","C(=O)(c1ccccc1)OCC(COC(=O)c1ccccc1)(COC(=O)c1ccccc1)COC(=O)c1ccccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["4261-14-7","9-benzyladenine;9h-purin-6-amine, 9-(phenylmethyl)-;9h-purin-6-amine, 9-(phenylmethyl)- (9ci)","c1(N)c2c(N(Cc3ccccc3)C=N2)ncn1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Moderate Quality","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes","Imidazole, benzimidazole (Nongenotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity","No alert found","Primary aromatic amine,hydroxyl amine and its derived esters","H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters"]
["4345-03-03","d-alpha-tocopheryl succinate;±-tocopheryl hydrogen succinate;butanedioic acid, mono[3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2h-1-benzopyran-6-yl] ester, [2r-[2r(4r,8r)]]-;?-tocopheryl hydrogen succinate;butanedioic acid, mono[(2r)-3,4-dihydro-2,5,7,8-tetramethyl-2-[(4r,8r)-4,8,12-trimethyltridecyl]-2h-1-benzopyran-6-yl] ester;4-oxo-4-({(2r)-2,5,7,8-tetramethyl-2-[(4r,8r)-4,8,12-trimethyltridecyl]-3,4-dihydro-2h-chromen-6-yl}oxy)butanoic acid;butanedioic acid, mono[3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2h-1-benzopyran-6-yl] ester, [2r-[2r*(4r*,8r*)]]-;vitamin e hemisuccinate;(+)-butanedioic acid, mono[3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2h-1-benzopyran-6-yl]ester","c1(C)c(OC(=O)CCC(=O)O)c(C)c(C)c2c1CCC(C)(CCCC(C)CCCC(C)CCCC(C)C)O2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["4350-09-08","5-hydroxy-l-tryptophan;l-5-hydroxytryptophan;5-hydroxytryptophan;oxitriptan;l-tryptophan, 5-hydroxy-;tryptophan, 5-hydroxy-, l-;4350-09-8;(<i>s</i>)-form","C1(CC(N)C(=O)O)c2c(ccc(O)c2)NC=1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> 5-alkoxyindoles","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["4403-61-6","2-methyl-2-butenenitrile;2-methylbut-2-enenitrile;2-butenenitrile, 2-methyl-;crotononitrile, 2-methyl- (8ci)","C(#N)C(C)=CC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 97","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["4444-68-2","diethylbutylamine;1-butanamine, n,n-diethyl-","C(CCC)N(CC)CC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 97","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","No alert found","No alert found","No alert found","No alert found"]
["4629-58-7","4-amino-4'-nitrostilbene;4-(4-nitrostyryl)aniline;4-[(e)-2-(4-nitrophenyl)ethenyl]aniline;benzenamine, 4-(2-(4-nitrophenyl)ethenyl)-","c1(C=Cc2ccc(N(=O)=O)cc2)ccc(N)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","N/A","YES","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN1 >> Nitrenium ion formation >> Nitro Compounds","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Nitro-aromatic (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","Nitro-aromatic|Primary aromatic amine,hydroxyl amine and its derived esters","Nitro-aromatic|Primary aromatic amine, hydroxyl amine and its derived esters"]
["4719-04-04","hexahydro-1,3,5-tris(hydroxyethyl)triazine;1,3,5-triazine-1,3,5(2h,4h,6h)-triethanol;grotan bk;2,2',2''-(hexahydro-1,3,5-triazine-1,3,5-triyl)triethanol;s-triazine-1,3,5(2h,4h,6h)-triethanol;triazinetriethanol;2,2',2''-(1,3,5-triazinane-1,3,5-triyl)triethanol;grotan (milidin x-2 formulation);grotan (triadine 10 microbiostat);grotan;hexahydro-1,3,5-tris(2-hydroxyethyl)-1,3,5-triazine","C(O)CN1CN(CCO)CN(CCO)C1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"No alert found","SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["4825-86-9","ochratoxin b;l-phenylalanine, n-(((3r)-3,4-dihydro-8-hydroxy-3-methyl-1-oxo-1h-2-benzopyran-7-yl)carbonyl)-","C1(=O)c2c(O)c(C(=O)NC(C(=O)O)Cc3ccccc3)ccc2CC(C)O1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","N/A","YES","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["5216-25-1","alpha,alpha,alpha-trichloro-4-chlorotoluene;4-chlorobenzotrichloride;±,±,±,4-tetrachlorotoluene;?,?,?,4-tetrachlorotoluene;benzene, 1-chloro-4-(trichloromethyl)-;alpha, alpha, alpha, 4-tetrachlorotoluene;toluene, p,.alpha.,.alpha.,.alpha.-tetrachloro-;1-chloro-4-(trichloromethyl)benzene;pchlorobenzotrichloride;p-chlorobenzotrichloride;α,α,α,4-tetrachlorotoluene;4-chloro-benzotrichloride;toluene, alpha,alpha,alpha,p-tetrachloro-;5216-25-1","C(Cl)(Cl)(Cl)c1ccc(Cl)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups","No alert found","Alkyl halides (Nongenotox)|Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups","No alert found","No alert found"]
["5343-65-7","2-bromo-n-(4-methylphenyl)acetamide","c1(NC(=O)CBr)ccc(C)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"No alert found","No alert found","Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Aliphatic halogens","Aliphatic halogen|H-acceptor-path3-H-acceptor"]
["5466-77-3","2-ethylhexyl p-methoxycinnamate;2-ethylhexyl-4-methoxy-cinnamate;3-(4-methoxy-phenyl)-acrylic acid 2-ethyl-hexyl ester;octylmethoxycinnamate;2-ethylhexyl 4-methoxycinnamate;2-propenoic acid, 3-(4-methoxyphenyl)-, 2-ethylhexyl ester;2-ethylhexyl (2e)-3-(4-methoxyphenyl)prop-2-enoate;2-ethylhexyl 3-(4-methoxyphenyl)acrylate","C(=O)(C=Cc1ccc(OC)cc1)OCC(CCCC)CC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 97","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","No alert found","Structural alert for nongenotoxic carcinogenicity|Substituted n-alkylcarboxylic acids (Nongenotox)","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["5598-15-2","chlorpyrifos oxon;phosphoric acid, diethyl 3,5,6-trichloro-2-pyridinyl ester;phosphoric acid, diethyl 3,5,6-trichloro-2-pyridinyl ester (9ci);5598-15-2","c1(Cl)c(Cl)cc(Cl)c(OP(=O)(OCC)OCC)n1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates","No alert found","Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid (Genotox)|Structural alert for genotoxic carcinogenicity","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates","Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid","Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid|H-acceptor-path3-H-acceptor"]
["6111-78-0","11-methylbenz[a]anthracene;11-methylbenz(a)anthracene;benz(a)anthracene, 11-methyl-","c12c(c3c(cc4c(c(C)ccc4)c3)cc1)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Moderate Quality","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1","Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons"]
["6197-30-4","2-ethylhexyl 2-cyano-3,3-diphenylacrylate;2-ethylhexyl-2-cyano-3,3'diphenyl acrylate;octocrilene;2-propenoic acid, 2-cyano-3,3-diphenyl-, 2-ethylhexyl ester;acrylic acid, 2-cyano-3,3-diphenyl-, 2-ethylhexyl ester;2-ethylhexyl 2-cyano-3,3-diphenylprop-2-enoate","c1(C(c2ccccc2)=C(C#N)C(=O)OCC(CCCC)CC)ccccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"No alert found","No alert found","Structural alert for nongenotoxic carcinogenicity|Substituted n-alkylcarboxylic acids (Nongenotox)","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["6264-66-0","3,4,4'-triaminodiphenyl ether;4-(4-aminophenoxy)-1,2-benzenediamine;no chemical name in data base;4-(4-aminophenoxy)benzene-1,2-diamine;4-[(4-aminophenyl)oxy]benzene-1,2-diamine;1,2-benzenediamine, 4-(4-aminophenoxy)- (9ci)","c1(N)c(N)cc(Oc2ccc(N)cc2)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Primary aromatic amine,hydroxyl amine and its derived esters","1-phenoxy-benzene|H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters"]
["6483-86-9","1-nitro-6(7)sulfonatoanthraquinone;6-anthracenesulfonic acid, 9,10-dihydro-9,10-dioxo-1-nitro-","c12C(=O)c3c(C(=O)c1c(N(=O)=O)ccc2)ccc(S(=O)(=O)O)c3","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Radical >> Radical mechanism by ROS formation >> Quinones|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro","Quinones (Genotox)|Structural alert for genotoxic carcinogenicity","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Radical >> Radical mechanism by ROS formation >> Quinones|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","Quinones","H-acceptor-path3-H-acceptor|Nitro-aromatic|Quinones"]
["6850-22-2","2-n-methyl-6-nitroindazole","C12C(C=C(N(=O)=O)C=C1)=NN(C)C=2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality, Conflict","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","No alert found","Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","Hydrazine","H-acceptor-path3-H-acceptor|Hydrazine"]
["6926-44-9","phenethyl azide;benzene, (2-azidoethyl)-","c1(CCN=N#N)ccccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes","Azide and triazene groups (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Azide and triazene groups","Azide and triazene groups"]
["7177-48-2","ampicillin trihydrate;ampicillin","C(=O)(C(N)c1ccccc1)NC1C(=O)N2C(C(=O)O)C(C)(C)SC12_O_O_O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","N/A","YES","Kirkland et al.","No","No S9 info","Mutation Research 584 (2005) 1-256","No strain info",null,"In Vitro mammalian chromosome aberration test","Gene mutation","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity",null,"No alert found","Acylation|Acylation >> P450 Mediated Activation to Isocyanates or Isothiocyanates|Acylation >> P450 Mediated Activation to Isocyanates or Isothiocyanates >> Benzylamines-Acylation|Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes|No alert found|SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["7258-52-8","2,3-dihydro-1h-cyclopenta[c]phenanthrene;1h-cyclopenta(c)phenanthrene, 2,3-dihydro-","c12c(c3c4c(ccc3cc1)cccc4)CCC2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1","Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons"]
["7446-34-6","selenium sulfide","S=[Se]","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","No S9 info","Mutation Research 584 (2005) 1-256","No strain info",null,"In Vitro mammalian chromosome aberration test","Gene mutation","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity",null,"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["7493-63-2","allyl anthranilate;benzoic acid, 2-amino-, 2-propenyl ester;prop-2-en-1-yl 2-aminobenzoate;anthranilic acid, allyl ester (8ci)","C(=O)(c1c(N)cccc1)OCC=C","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Primary aromatic amine,hydroxyl amine and its derived esters","H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters"]
["7681-49-4","sodium fluoride (naf);sodium fluoride;fluoride, sodium;naf;sodium fluoride [usan:jan]","F{-}.[Na]{+}","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["7719-09-07","thionyl chloride;thionyl chloride(dot);thionyl dichloride","O=S(Cl)Cl","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","National Cancer Institute","No","without S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,null,"Short-Term Testing Program in the National Cancer Institute (NCI), National Institutes of Health, US Department of Health and Human Services",null,"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["7756-96-9","butyl anthranilate;benzoic acid, 2-amino-, butyl ester;butyl 2-aminobenzoate;anthranilic acid, butyl ester (6ci,7ci,8ci)","C(=O)(c1c(N)cccc1)OCCCC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Primary aromatic amine,hydroxyl amine and its derived esters","H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters"]
["7779-16-0","cyclohexyl anthranilate;benzoic acid, 2-amino-, cyclohexyl ester;cyclohexyl 2-aminobenzoate","C(=O)(c1c(N)cccc1)OC1CCCCC1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Primary aromatic amine,hydroxyl amine and its derived esters","H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters"]
["7779-77-3","isobutyl anthranilate;benzoic acid, 2-amino-, 2-methylpropyl ester;2-methylpropyl 2-aminobenzoate","C(=O)(c1c(N)cccc1)OCC(C)C","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Primary aromatic amine,hydroxyl amine and its derived esters","H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters"]
["10026-04-7","silicon tetrachloride;tetrachlorosilane;silane, tetrachloro-;silicon chloride, (sicl4)\"\"\";silicon chloride, (sicl4)","[Si](Cl)(Cl)(Cl)Cl","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Hansen K. et al.","No","No S9 info","J. Chem. Inf. Model., 2009, 49 (9), pp 2077–2081","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",2009,"No information for Salmonella thyphimurium strain and S9 metabolic activation",null,null,"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["10061-01-5","cis-1,3-dichloropropene;1,3-dichloropropene, (z);(z)-1,3-dichloropropene;1-propene, 1,3-dichloro-, (z)-;(1z)-1,3-dichloroprop-1-ene;1-propene, 1,3-dichloro-, (z)- (9ci)","C(Cl)=CCCl","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives","SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides","Aliphatic halogens (Genotox)|Monohaloalkene (Genotox)|Structural alert for genotoxic carcinogenicity","Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives","Aliphatic halogens|Monohaloalkene","Aliphatic halogen|Monohaloalkene"]
["10143-23-4","2,3-dimethyl-1-pentanol;1-pentanol, 2,3-dimethyl-, (3s)-(-)- (8ci);10143-23-4","C(C)(C(C)CC)CO","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"No alert found","No alert found","Structural alert for nongenotoxic carcinogenicity|Substituted n-alkylcarboxylic acids (Nongenotox)","No alert found","No alert found","No alert found"]
["10517-47-2","4-hydroxylaminoacetophenone;ethanone, 1-(4-(hydroxyamino)phenyl)- (9ci)","C(C)(=O)c1ccc(NO)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> N-hydroxylamines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic N-hydroxylamines","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> N-hydroxylamines","Primary aromatic amine,hydroxyl amine and its derived esters","H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters"]
["10567-95-0","5,7-dimethylbenz[c]acridine;benz(c)acridine, 5,7-dimethyl-","c1(C)c2c(c3c(c(C)c4c(cccc4)n3)c1)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition|SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1","Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Heterocyclic Polycyclic Aromatic Hydrocarbons","Heterocyclic Polycyclic Aromatic Hydrocarbons"]
["13098-39-0","hexafluoroacetone sesquihydrate;2-propanone, hexafluoro-, sesquihydrate;2-propanone, 1,1,1,3,3,3-hexafluoro-, sesquihydrate","C(F)(F)(F)C(=O)C(F)(F)F_C(F)(F)(F)C(=O)C(F)(F)F_O_O_O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["13132-28-0","1-nitroacenaphthylene;acenaphthylene, 1-nitro-","C1(N(=O)=O)c2c3c(cccc3ccc2)C=1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","No alert found","No alert found","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","No alert found","No alert found"]
["13284-42-9","2-pentenenitrile;pent-2-enenitrile;2 - pentenenitrile","C(#N)C=CCC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["13523-75-6","gamma-glutamyl phenylhydrazine","C(=O)(O)C(N)CCC(=O)NNc1ccccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","N/A","YES","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"No alert found","No alert found","Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Hydrazine","H-acceptor-path3-H-acceptor|Hydrazine"]
["13676-54-5","bismaleimide;1h-pyrrole-2,5-dione, 1,1'-(methylenedi-4,1-phenylene)bis-;maleimide, n,n'-(methylenedi-p-phenylene)di-;1,1'-(methylenedi-p-phenylene)bismaleimide;1h-pyrrole-2,5-dione, 1,1’-(methylenedi-4,1-phenylene)bis-;1,1'-(methanediyldibenzene-4,1-diyl)bis(1h-pyrrole-2,5-dione)","C1(=O)C=CC(=O)N1c1ccc(Cc2ccc(N3C(=O)C=CC3=O)cc2)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","National Cancer Institute","No","without S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,null,"Short-Term Testing Program in the National Cancer Institute (NCI), National Institutes of Health, US Department of Health and Human Services",null,"No alert found","No alert found","alpha,beta-unsaturated carbonyls (Genotox)|Dicarboximide (Nongenotox)|Structural alert for nongenotoxic carcinogenicity|Structural alerts for both genotoxic and nongenotoxic carcinogenicity","No alert found","alpha,beta-unsaturated carbonyls","alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor"]
["14078-41-2","3-tert-butyl-4-hydroxyanisole dimer;[1,1'-biphenyl]-2,2'-diol, 3,3'-bis(1,1-dimethylethyl)-5,5'-dimethoxy-;(1,1'-biphenyl)-2,2'-diol, 3,3'-bis(1,1-dimethylethyl)-5,5'-dimethoxy-","C(C)(C)(C)c1c(O)c(-c2c(O)c(C(C)(C)C)cc(OC)c2)cc(OC)c1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Hansen K. et al.","No","No S9 info","J. Chem. Inf. Model., 2009, 49 (9), pp 2077–2081","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",2009,"No information for Salmonella thyphimurium strain and S9 metabolic activation",null,null,"No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones","o-phenylphenol (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","No alert found"]
["14861-17-7","aminonitrofen;4-(2,4-dichlorophenoxy)aniline;benzenamine, 4-(2,4-dichlorophenoxy)-;aniline, p-(2,4-dichlorophenoxy)-\";aniline, p-(2,4-dichlorophenoxy)-;aminofen","c1(Oc2ccc(N)cc2)c(Cl)cc(Cl)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","Primary aromatic amine,hydroxyl amine and its derived esters","1-phenoxy-benzene|Primary aromatic amine, hydroxyl amine and its derived esters"]
["15121-84-3","2-nitrobenzeneethanol;benzeneethanol, 2-nitro-;o-nitrophenethyl alcohol;2-nitrophenethyl alcohol;2-(2-nitrophenyl)ethanol;phenethyl alcohol, o-nitro-","c1(N(=O)=O)c(CCO)cccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro","Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Nitro-aromatic","Nitro-aromatic"]
["16430-32-3","9-acetoxymethylanthracene;9-anthracenemethanol, acetate","c12c(c(COC(C)=O)c3c(cccc3)c1)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Specific Acetate Esters|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Specific Acetate Esters|SN2|SN2 >> Acylating agents|SN2 >> Acylating agents >> Specific Acetate Esters|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Specific Acetate Esters","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition","Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Specific Acetate Esters|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Specific Acetate Esters|SN2|SN2 >> Acylating agents|SN2 >> Acylating agents >> Specific Acetate Esters|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Specific Acetate Esters","Polycyclic Aromatic Hydrocarbons","H-acceptor-path3-H-acceptor|Polycyclic Aromatic Hydrocarbons"]
["16529-56-9","2-methyl-3-butenenitrile;3-butenenitrile, 2-methyl-;2-methylbut-3-enenitrile","C(#N)C(C)C=C","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["17418-58-5","c.i. disperse red 60;1-amino-4-hydroxy-2-phenoxy-anthraquinone;9,10-anthracenedione, 1-amino-4-hydroxy-2-phenoxy-;1-amino-4-hydroxy-2-phenoxyanthraquinone;anthraquinone disperse red 60 ci no. unknown;1-amino-4-hydroxy-2-phenoxyanthracene-9,10-dione","c12C(=O)c3c(C(=O)c1c(N)c(Oc1ccccc1)cc2O)cccc3","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","National Cancer Institute","No","with S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,null,"Short-Term Testing Program in the National Cancer Institute (NCI), National Institutes of Health, US Department of Health and Human Services","Source of metabolic system - rat","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","No alert found","Quinones (Genotox)|Structural alert for genotoxic carcinogenicity","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","Quinones","1-phenoxy-benzene|H-acceptor-path3-H-acceptor|Quinones"]
["17564-64-6","n-(chloromethyl)phthalimide;1h-isoindole-1,3(2h)-dione, 2-(chloromethyl)-;2-(chloromethyl)-1h-isoindole-1,3(2h)-dione;phthalimide, n-(chloromethyl)-","C1(=O)c2c(C(=O)N1CCl)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"No alert found","SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Aliphatic halogens","Aliphatic halogen|H-acceptor-path3-H-acceptor"]
["18031-40-8","1-perillaldehyde;l-(-)-perillaldehyde;(s)-(-)-perrillaldehyde;1-cyclohexene-1-carboxaldehyde, 4-isopropenyl-, (s)-(-)-;1-cyclohexene-1-carboxaldehyde, 4-(1-methylethenyl)-, (s)-(-)- (9ci)","C(=C)(C)C1CC=C(C=O)CC1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","N/A","YES","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"No alert found","Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated aldehydes","Simple aldehyde (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Simple aldehyde","Simple aldehyde"]
["18662-53-8","nitrilotriacetic acid, trisodium salt monohydrate;nitrilotriacetic acid,trisodium salt,monohydrate;nta trisodium salt dihydrate;glycine, n,n-bis(carboxymethyl)-, sodium salt, hydrate (1:3:1)","C(=O)(CN(CC(=O)O{-}.[Na]{+})CC(=O)O{-}.[Na]{+})O{-}.[Na]{+}_O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality, Conflict","NO","P&G","No","with S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","No alert found|SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["19213-10-6","p-hydroxyacetoacetanilide;hoacetoac;butanamide, n-(4-hydroxyphenyl)-3-oxo-","c1(O)ccc(NC(=O)CC(C)=O)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Hansen K. et al.","No","No S9 info","J. Chem. Inf. Model., 2009, 49 (9), pp 2077–2081","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",2009,"No information for Salmonella thyphimurium strain and S9 metabolic activation",null,null,"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["19780-11-1","2-dodecen-1-yl succinic anhydride;3-(2-dodecenyl)succinic anhydride;(2-dodecenyl)succinic anhydride;2,5-furandione, 3-(2-dodecenyl)dihydro-;3-(dodec-2-en-1-yl)dihydrofuran-2,5-dione","C1(=O)C(CC=CCCCCCCCCC)CC(=O)O1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","Michael addition|Michael addition >> alpha, beta-unsaturated carabonyl compounds|Michael addition >> alpha, beta-unsaturated carabonyl compounds >> Four- and Five-Membered Lactones|SN2|SN2 >> Ring opening SN2 reaction|SN2 >> Ring opening SN2 reaction >> Four- and Five-Membered Lactones","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor|Oxolane"]
["19881-18-6","nitroscanate;1-isothiocyanato-4-(4-nitrophenoxy)benzene;benzene, 1-isothiocyanato-4-(4-nitrophenoxy)-;isothiocyanic acid, p-(p-nitrophenoxy)phenyl ester","c1(Oc2ccc(N(=O)=O)cc2)ccc(N=C=S)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","Acylation|Acylation >> Isocyanates and Isothiocyanates|Acylation >> Isocyanates and Isothiocyanates >> Isothiocyanates|SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro","Isocyanate and isothiocyanate groups (Genotox)|Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","Isocyanate and isothiocyanate groups|Nitro-aromatic","1-phenoxy-benzene|Isocyanate and isothiocyanate groups|Nitro-aromatic"]
["21259-20-1","t-2 toxin;(3alpha,4beta,8alpha)-12,13-epoxytrichothec-9-ene-3,4,8,15-tetrol 4,15-diacetate 8-(3-methylbutyrate);(3±,4?,8±)-12,13-epoxytrichothec-9-ene-3,4,8,15-tetrol 4,15-diacetate 8-(3-methylbutyrate);(3?,4?,8?)-12,13-epoxytrichothec-9-ene-3,4,8,15-tetrol 4,15-diacetate 8-(3-methylbutyrate);(3alpha,4beta,8alpha)-4,15-bis(acetyloxy)-3-hydroxy-12,13-epoxytrichothec-9-en-8-yl 3-methylbutanoate;trichothec-9-ene-3,4,8,15-tetrol, 12,13-epoxy-, 4,15-diacetate 8-(3-methylbutanoate), (3alpha,4beta,8alpha)- (9ci);21259-20-1;3,4,8,15-scirpenetetrol;(3?,4?,8?)-form, 8-<i>o</i>-(3-methylbutanoyl), 4,15-di-ac","C12(C3(C)C4(COC(C)=O)C(C=C(C)C(OC(=O)CC(C)C)C4)OC1C(O)C3OC(C)=O)CO2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Specific Acetate Esters|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Specific Acetate Esters|SN2|SN2 >> Acylating agents|SN2 >> Acylating agents >> Specific Acetate Esters|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Specific Acetate Esters","SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides","Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity","Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Specific Acetate Esters|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Specific Acetate Esters|SN2|SN2 >> Acylating agents|SN2 >> Acylating agents >> Specific Acetate Esters|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Specific Acetate Esters","Epoxides and aziridines","Epoxides and aziridines|H-acceptor-path3-H-acceptor"]
["21829-25-4","nifedipine;3,5-pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(2-nitrophenyl)-, dimethyl ester;21829-25-4","C(=O)(C1=C(C)NC(C)=C(C(=O)OC)C1c1c(N(=O)=O)cccc1)OC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality, Conflict","NO","P&G","No","with S9",null,"TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro","Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Nitro-aromatic","H-acceptor-path3-H-acceptor|Nitro-aromatic"]
["22338-69-8","grandifloric acid;15alpha-hydroxy-ent-kaur-16-en-19-oic acid","C(=O)(O)C1(C)C2C(C)(C3C4(C(O)C(=C)C(CC3)C4)CC2)CCC1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Hansen K. et al.","No","No S9 info","J. Chem. Inf. Model., 2009, 49 (9), pp 2077–2081","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",2009,"No information for Salmonella thyphimurium strain and S9 metabolic activation",null,null,"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["23250-39-7","9-amino-2-chloroacridine;acridine, 9-amino-2-chloro-","c12c(c(N)c3c(ccc(Cl)c3)n1)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition","Halogenated benzene (Nongenotox)|Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity","No alert found","Heterocyclic Polycyclic Aromatic Hydrocarbons|Primary aromatic amine,hydroxyl amine and its derived esters","Heterocyclic Polycyclic Aromatic Hydrocarbons|Primary aromatic amine, hydroxyl amine and its derived esters"]
["24085-03-8","1-(4'-hydroxy-3'-hydroxymethylphenyl)-2-(benzyl-tert-butylamino)ethanol;±-[(benzyl-tert-butylamino)methyl]-m-xylene-4,±,±'-triol;?-[(benzyl-tert-butylamino)methyl]-m-xylene-4,?,?'-triol;4-{2-[benzyl(tert-butyl)amino]-1-hydroxyethyl}-2-(hydroxymethyl)phenol","c1(O)c(CO)cc(C(O)CN(C(C)(C)C)Cc2ccccc2)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Hansen K. et al.","No","No S9 info","J. Chem. Inf. Model., 2009, 49 (9), pp 2077–2081","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",2009,"No information for Salmonella thyphimurium strain and S9 metabolic activation",null,null,"No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes|SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["24684-41-1","16,17-dihydro-11-methyl-15h-cyclopenta[a]phenanthrene;15h-cyclopenta(a)phenanthrene, 16,17-dihydro-11-methyl-","c12c(c3c(c4c(cc3C)CCC4)cc1)cccc2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1","Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons"]
["25082-33-1","2-azabenz[a]anthracene;naphth(2,3-h)isoquinoline","c12c(c3c(cc4c(cccc4)c3)cc1)cncc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition","Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Heterocyclic Polycyclic Aromatic Hydrocarbons|Polycyclic Aromatic Hydrocarbons","Heterocyclic Polycyclic Aromatic Hydrocarbons|Polycyclic Aromatic Hydrocarbons"]
["25155-23-1","phenol, dimethyl-, 1,1',1''-phosphate;trixylenyl phosphate;trixylyl phosphate;phenol, dimethyl-, phosphate (3:1);dimethylphenol, phosphate (3:1)","c1(OP(=O)(Oc2cc(C)cc(C)c2)Oc2cc(C)cc(C)c2)cc(C)cc(C)c1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["26196-45-2","4-amino-3-nitro-6-chloroaniline;2,5-diamino-4-chloronitrobenzene;2-chloro-5-nitrobenzene-1,4-diamine;1,4-benzenediamine, 2-chloro-5-nitro-","c1(N)c(Cl)cc(N)c(N(=O)=O)c1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN1 >> Nitrenium ion formation >> Nitro Compounds","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Nitro-aromatic (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","Nitro-aromatic|Primary aromatic amine,hydroxyl amine and its derived esters","H-acceptor-path3-H-acceptor|Nitro-aromatic|Primary aromatic amine, hydroxyl amine and its derived esters"]
["26638-28-8","methyl pentachlorostearate;octadecanoic acid, pentachloro-, methyl ester","C(=O)(C(Cl)CCC(Cl)CCCCCC(Cl)CCC(Cl)CCCCCl)OC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Moderate Quality, Conflict","NO","P&G","No","with S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides","Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Aliphatic halogens","Aliphatic halogen|H-acceptor-path3-H-acceptor"]
["27730-03-6","4-nitrochalcone oxide","c1(C(=O)C2C(c3ccc(N(=O)=O)cc3)O2)ccccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","N/A","YES","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro|SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides","Epoxides and aziridines (Genotox)|Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines","Epoxides and aziridines|Nitro-aromatic","Epoxides and aziridines|H-acceptor-path3-H-acceptor|Nitro-aromatic"]
["28553-12-0","diisononyl phthalate;1,2-benzenedicarboxylic acid, 1,2-diisononyl ester;diisononylphthalate;di-''isononyl'' phthalate;1,2-benzenedicarboxylic acid, diisononyl ester;bis(7-methyloctyl) benzene-1,2-dicarboxylate;di-isononyl phthalate (dinp2);di-isononylphthalate","C(=O)(c1c(C(=O)OCCCCCCC(C)C)cccc1)OCCCCCCC(C)C","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","No alert found","Phtalate (or buthyl) diesters and monoesters (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["28652-72-4","methylbiphenyl;2-methylbiphenyl;methyl-1,1'-biphenyl;methyl biphenyl (mixed isomers);1,1'-biphenyl, methyl-","c1(-c2c(C)cccc2)ccccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Hansen K. et al.","No","No S9 info","J. Chem. Inf. Model., 2009, 49 (9), pp 2077–2081","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",2009,"No information for Salmonella thyphimurium strain and S9 metabolic activation",null,null,"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["30269-02-4","1-amino-8-nitropyrene;1-pyrenamine, 8-nitro-","c1(N)c2c3c4c(c(N(=O)=O)ccc4ccc3cc1)cc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Nitro-aromatic (Genotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","Nitro-aromatic|Polycyclic Aromatic Hydrocarbons|Primary aromatic amine,hydroxyl amine and its derived esters","Nitro-aromatic|Polycyclic Aromatic Hydrocarbons|Primary aromatic amine, hydroxyl amine and its derived esters"]
["32433-28-6","4-acetylaminoquinoline","c1(NC(C)=O)c2c(cccc2)ncc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Hansen K. et al.","No","No S9 info","J. Chem. Inf. Model., 2009, 49 (9), pp 2077–2081","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",2009,"No information for Salmonella thyphimurium strain and S9 metabolic activation",null,null,"No alert found","No alert found","Aromatic N-acyl amine (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Aromatic N-acyl amine","Aromatic N-acyl amine|H-acceptor-path3-H-acceptor"]
["32534-81-9","pentabromodiphenyl oxide;de 71;pentabromodiphenyl oxide (technical) (de 71);pentabromodiphenyl ether;pentabromodiphenyl ethers;diphenyl ether, pentabromo derivative;benzene, 1,1’-oxybis-, pentabromo deriv.;benzene, 1,1'-oxybis-, pentabromo deriv.;1,2,4-tribromo-5-(2,4-dibromophenoxy)benzene;benzene, 1,1'-oxybis-, pentabromo derivative","c1(Br)c(Br)cc(Br)c(Oc2c(Br)cc(Br)cc2)c1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","No alert found","Halogenated PAH (naphthalenes, biphenyls, diphenyls) (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","1-phenoxy-benzene"]
["32954-58-8","4-ipomeanol;1-pentanone, 1-(3-furanyl)-4-hydroxy-","C(=O)(C1C=COC=1)CCC(C)O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Moderate Quality","NO","National Cancer Institute","No","without S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,null,"Short-Term Testing Program in the National Cancer Institute (NCI), National Institutes of Health, US Department of Health and Human Services",null,"No alert found","Michael addition|Michael addition >> P450 Mediated Activation of Heterocyclic Ring Systems|Michael addition >> P450 Mediated Activation of Heterocyclic Ring Systems >> Furans","alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","alpha,beta-unsaturated carbonyls","alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor"]
["33757-42-5","8-acetylaminoquinoline;acetamide, n-8-quinolinyl- (9ci)","c1(NC(C)=O)c2c(cccn2)ccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Moderate Quality","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"No alert found","No alert found","Aromatic N-acyl amine (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Aromatic N-acyl amine","Aromatic N-acyl amine|H-acceptor-path3-H-acceptor"]
["36164-42-8","7-acetylaminoquinoline;acetamide, n-7-quinolyl-","c12c(cc(NC(C)=O)cc1)nccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Moderate Quality","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"No alert found","No alert found","Aromatic N-acyl amine (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Aromatic N-acyl amine","Aromatic N-acyl amine|H-acceptor-path3-H-acceptor"]
["37853-59-1","1,2-bis(2,4,6-tribromophenoxy)ethane;1,1'-[ethane-1,2-diylbisoxy]bis[2,4,6-tribromobenzene];benzene, 1,1’-[1,2-ethanediylbis(oxy)]bis[2,4,6-tribromo-;benzene, 1,1'-[1,2-ethanediylbis(oxy)]bis[2,4,6-tribromo-;benzene, 1,1'- 1,2-ethanediylbis(oxy) bis 2,4,6-tribromo-;benzene, 1,1'-Х1,2-ethanediylbis(oxy)еbisХ2,4,6-tribromo-;1,1'-[ethane-1,2-diylbis(oxy)]bis(2,4,6-tribromobenzene);benzene, 1,1'-(1,2-ethanediylbis(oxy))bis(2,4,6-tribromo-","c1(Br)c(OCCOc2c(Br)cc(Br)cc2Br)c(Br)cc(Br)c1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["38612-16-7","m-nitrobenzyl benzoate;benzenemethanol, 3-nitro-, benzoate (ester)","C(=O)(c1ccccc1)OCc1cc(N(=O)=O)ccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Hansen K. et al.","No","No S9 info","J. Chem. Inf. Model., 2009, 49 (9), pp 2077–2081","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",2009,"No information for Salmonella thyphimurium strain and S9 metabolic activation",null,null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro","Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Nitro-aromatic","H-acceptor-path3-H-acceptor|Nitro-aromatic"]
["39482-21-8","n-trimethylsilylmethyl-n-nitrosourea;urea, n-nitroso-n-((trimethylsilyl)methyl)-","C(N)(=O)N(C[Si](C)(C)C)N=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Hansen K. et al.","No","No S9 info","J. Chem. Inf. Model., 2009, 49 (9), pp 2077–2081","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",2009,"No information for Salmonella thyphimurium strain and S9 metabolic activation",null,null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives","SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2","Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives","Alkyl and aryl N-nitroso groups","Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor"]
["41340-19-6","1-ethyl-8-methyl-1,3,4,9-tetrahydropyrano[3,4-b]indole","C12c3c(c(C)ccc3)NC=1C(CC(=O)OCC)OCC2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["50330-59-1","m-1;8-chloro-6-(2-chlorophenyl)-n,n-dimethyl-4h-1,2,4-triazolo(1,5-a)(1,4)benzodiazepine-2-carboxamide","c1(C2c3c(ccc(Cl)c3)N3C(CN=2)=NC(C(=O)N(C)C)=N3)c(Cl)cccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Hansen K. et al.","No","No S9 info","J. Chem. Inf. Model., 2009, 49 (9), pp 2077–2081","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",2009,"No information for Salmonella thyphimurium strain and S9 metabolic activation",null,null,"No alert found","SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","Halogenated benzene (Nongenotox)|Hydrazine (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity","No alert found","Hydrazine","H-acceptor-path3-H-acceptor|Hydrazine"]
["50648-96-9","n-((2,4-dichlorophenoxy)acetyl)-l-alanine; l-alanine, n-((2,4-dichlorophenoxy)acetyl)-;l-alanine, n-((2,4-dichlorophenoxy)acetyl)-;50648-96-9","c1(OCC(=O)NC(C)C(=O)O)c(Cl)cc(Cl)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","N/A","YES","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["51940-44-4","pipemidic acid;8-ethyl-5-oxo-2-(piperazin-1-yl)-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid;pyrido[2,3-d]pyrimidine-6-carboxylic acid, 8-ethyl-5,8-dihydro-5-oxo-2-(1-piperazinyl)-;pyrido(2,3-d)pyrimidine-6-carboxylic acid, 5,8-dihydro-8-ethyl-5-oxo-2-(1-piperazinyl)-;51940-44-4","C(=O)(O)C1C(=O)c2c(N(CC)C=1)nc(N1CCNCC1)nc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"No alert found","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine","alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","alpha,beta-unsaturated carbonyls","alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor"]
["53757-29-2","2-methyl-4-(5-nitro-2-furyl)thiazole;thiazole, 2-methyl-4-(5-nitro-2-furyl)-","C1(C2=CC=C(N(=O)=O)O2)=CSC(C)=N1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Unsaturated heterocyclic nitro","Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","Nitro-aromatic","H-acceptor-path3-H-acceptor|Nitro-aromatic"]
["55256-53-6","austocystin d;5h-furo(3',2':4,5)furo(3,2-b)xanthen-5-one, 3a,12a-dihydro-3a,4,6-trihydroxy-9-(3-hydroxy-3-methylbutyl)-, (3ar,12ar)-","c12C(=O)c3c(O)c4C5(O)C=COC5Oc4cc3Oc1c(CCC(C)(C)O)ccc2O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Alkyl phenols","No alert found","No alert found","No alert found","1-phenoxy-benzene|H-acceptor-path3-H-acceptor"]
["55256-58-1","austocystin a;5h-furo(3',2':4,5)furo(3,2-b)xanthen-5-one, 3a,12a-dihydro-7-chloro-4,6-dimethoxy-, (3as-cis)-;5h-furo(3',2':4,5)furo(3,2-b)xanthen-5-one, 3a,12a-dihydro-7-chloro-4,6-dimethoxy-, (3as,12ar)-","c12C(=O)c3c(OC)c4c(cc3Oc1ccc(Cl)c2OC)OC1C4C=CO1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"No alert found","No alert found","Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","1-phenoxy-benzene|H-acceptor-path3-H-acceptor"]
["55706-57-5","6-methyl-8-quinolinecarboxylic acid","C(=O)(O)c1c2c(cc(C)c1)cccn2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Hansen K. et al.","No","No S9 info","J. Chem. Inf. Model., 2009, 49 (9), pp 2077–2081","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",2009,"No information for Salmonella thyphimurium strain and S9 metabolic activation",null,null,"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["56600-58-9","1-nitro-2-ethylanthraquinone;9,10-anthracenedione, 2-ethyl-1-nitro-;9,10-anthracenedione, 2-ethyl-1-nitro- (9ci)","c12C(=O)c3c(C(=O)c1c(N(=O)=O)c(CC)cc2)cccc3","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Radical >> Radical mechanism by ROS formation >> Quinones|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","No alert found","Quinones (Genotox)|Structural alert for genotoxic carcinogenicity","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Radical >> Radical mechanism by ROS formation >> Quinones|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","Quinones","H-acceptor-path3-H-acceptor|Quinones"]
["57404-88-3","trans-benzo[a]pyrene-7,8-dihydrodiol;benzo(a)pyrene, 7,8-dihydro-7,8-dihydroxy-, (e)-","c12c3c4c(c5c(C=CC(O)C5O)cc4ccc3ccc1)cc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","No alert found","Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons","H-acceptor-path3-H-acceptor|Polycyclic Aromatic Hydrocarbons"]
["58718-48-2","1,9-dinitrophenazine","c12c(c(N(=O)=O)ccc1)nc1c(cccc1N(=O)=O)n2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Hansen K. et al.","No","No S9 info","J. Chem. Inf. Model., 2009, 49 (9), pp 2077–2081","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",2009,"No information for Salmonella thyphimurium strain and S9 metabolic activation",null,null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro","Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","Heterocyclic Polycyclic Aromatic Hydrocarbons|Nitro-aromatic","H-acceptor-path3-H-acceptor|Heterocyclic Polycyclic Aromatic Hydrocarbons|Nitro-aromatic"]
["60262-82-0","benzo[a]pyrene-1-glucuronide;benzo(a)pyrene-1-glucuronide","c1(OC2C(O)C(O)C(O)C(C(=O)O)O2)c2c3c4c(c5c(cc4ccc3cc1)cccc5)cc2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Hansen K. et al.","No","No S9 info","J. Chem. Inf. Model., 2009, 49 (9), pp 2077–2081","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",2009,"No information for Salmonella thyphimurium strain and S9 metabolic activation",null,null,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition|SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1","Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons","H-acceptor-path3-H-acceptor|Polycyclic Aromatic Hydrocarbons"]
["60719-84-8","amrinone;(3,4'-bipyridin)-6(1h)-one, 5-amino-","c1(C2C=C(N)C(=O)NC=2)ccncc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","No alert found","alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","alpha,beta-unsaturated carbonyls","alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor"]
["61788-44-1","styrenated phenol;phenol, styrenated;reaction product of styrene and phenol","c1(O)c(C=C)cc(C=C)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["63449-41-2","benzalkonium chloride;benzyldimethyl(mixed alkyl)ammonium chloride;c8-18-alkydimethylbenzyl ammonium chlorides;quaternary ammonium compounds, benzyl-c8-18-alkyldimethyl, chlorides;benzyl-c8-18-alkyldimethyl quaternary ammonium compouds chlorides","c1(CN{+}(C)(C)(.Cl{-})CCCCCCCCCC)ccccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 97","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes","No alert found","No alert found","No alert found","No alert found"]
["64532-97-4","nonylphenyl diphenyl phosphate;4-nonylphenyl diphenyl phospate;nonylphenyl diphenyl phosphate (npdpp mixed isomers);phosphoric acid, 4-nonylphenyl diphenyl ester","c1(OP(=O)(Oc2ccccc2)Oc2ccccc2)ccc(CCCCCCCCC)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 97","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["65199-11-3","benzo[a]pyrene-7,8-dione;benzo(a)pyrene-7,8-dione","C1(=O)C(=O)c2c(c3c4c5c(ccc4c2)cccc5cc3)C=C1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Hansen K. et al.","No","No S9 info","J. Chem. Inf. Model., 2009, 49 (9), pp 2077–2081","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",2009,"No information for Salmonella thyphimurium strain and S9 metabolic activation",null,null,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","Michael addition|Michael addition >> Quinones and Quinone-type Chemicals|Michael addition >> Quinones and Quinone-type Chemicals >> Quinones","Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons","H-acceptor-path3-H-acceptor|Polycyclic Aromatic Hydrocarbons"]
["65886-71-7","5-azacytosine arabinoside;1,3,5-triazin-2(1h)-one, 4-amino-1-(beta-d-arabi;1,3,5-triazin-2(1h)-one, 4-amino-1-(á-d-arabinofuranosyl)-","C1(=O)N=C(N)N=CN1C1C(O)C(O)C(CO)O1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Moderate Quality","NO","National Cancer Institute","No","with S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,null,"Short-Term Testing Program in the National Cancer Institute (NCI), National Institutes of Health, US Department of Health and Human Services","Source of metabolic system - rat","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives","SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor|Oxolane"]
["67411-86-3","5-hydroxymethylchrysene","c12c(c3c(c4c(cc3CO)cccc4)cc1)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1","Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons"]
["68641-49-6","bis(2-oxo-3-oxazolidinyl)phosphinic chloride;phosphinic chloride, bis(2-oxo-3-oxazolidinyl)-","C1(=O)N(P(=O)(Cl)N2C(=O)OCC2)CCO1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["70140-82-8","o,o-diisobutyl s-chloromethyl dithiophosphate","C(C)(C)COP(=S)(OCC(C)C)SCCl","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Hansen K. et al.","No","No S9 info","J. Chem. Inf. Model., 2009, 49 (9), pp 2077–2081","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",2009,"No information for Salmonella thyphimurium strain and S9 metabolic activation",null,null,"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates","No alert found","Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates","Aliphatic halogens","Aliphatic halogen"]
["71461-13-7","ephedradine a;4h-1,16-etheno-5,15-(propaniminoethano)furo(3,4-l)(1,5,10)triazacyclohexadecine-4,21-dione, 3,3a,6,7,8,9,10,11,12,13,14,15-dodecahydro-3-(4-hydroxyphenyl)-, (3r,3ar,15s)-","c12c3C(C(=O)N4CCCCNCCCNC(c(cc1)c3)CC(=O)NCCC4)C(c1ccc(O)cc1)O2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Hansen K. et al.","No","No S9 info","J. Chem. Inf. Model., 2009, 49 (9), pp 2077–2081","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",2009,"No information for Salmonella thyphimurium strain and S9 metabolic activation",null,null,"No alert found","SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["74550-97-3","bimolane;2,6-piperazinedione, 4,4'-ethylenebis(1-(morpholinomethyl)-","C1(=O)CN(CCN2CC(=O)N(CN3CCOCC3)C(=O)C2)CC(=O)N1CN1CCOCC1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"No alert found","SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["76002-91-0","3-[4-[1-methyl-1-[4-(oxyranylmethoxy)phenyl]ethyl]phenoxy]propane-1,2-diol;3-(4-(1-(4-(2,3-epoxypropoxy)phenyl)-1-methylethyl)phenoxy)propane-1,2-diol;3-[4-[1-[4-(2,3-epoxypropoxy)phenyl]-1-methylethyl]phenoxy]propane-1,2-diol;3-(4-{2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl}phenoxy)propane-1,2-diol","c1(C(C)(C)c2ccc(OCC3CO3)cc2)ccc(OCC(O)CO)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines","SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides","Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines","Epoxides and aziridines","Epoxides and aziridines|H-acceptor-path3-H-acceptor"]
["77784-21-5","4,5-dioxodehydrocrebanine;5h-benzo(g)-1,3-benzodioxolo(6,5,4-de)quinoline-5,6(7h)-dione, 9,10-dimethoxy-7-methyl-","C1(=O)C(=O)c2c3c(c4c(c(OC)c(OC)cc4)cc3N1C)c1c(c2)OCO1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones","1,3-Benzodioxoles (Nongenotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons","H-acceptor-path3-H-acceptor|Polycyclic Aromatic Hydrocarbons"]
["80214-83-1","9-[o-[(2-methoxyethoxy)methyl]oxime]erythromycin;roxithromycin;erythromycin, 9-[o-[(2-methoxyethoxy)methyl]oxime], (9e)-;(9e)-9-[o-[(2-methoxyethoxy)methyl]oxime]erythromycin;erythromycin, 9-(o-((2-methoxyethoxy)methyl)oxime), (9e)-;80214-83-1","C1(C)(O)C(O)C(C)C(=NOCOCCOC)C(C)CC(C)(O)C(OC2C(O)C(N(C)C)CC(C)O2)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(=O)OC1CC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","N/A","YES","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"No alert found","SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["81760-45-4","kahweol palmitate;hexadecanoic acid, (3b,4,5,6,7,8,9,10,10a,10b-decahydro-7-hydroxy-10b-methyl-5a,8-methano-5ah-cyclohepta(5,6)naphtho(2,1-b)furan-7-yl)methyl ester, (3bs-(3balpha,5abeta,7beta,8beta,10aalpha,10bbeta))-","C12=C(C3C(C)(C4C5(CC(O)(COC(=O)CCCCCCCCCCCCCCC)C(CC4)C5)CC3)C=C1)C=CO2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Hansen K. et al.","No","No S9 info","J. Chem. Inf. Model., 2009, 49 (9), pp 2077–2081","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",2009,"No information for Salmonella thyphimurium strain and S9 metabolic activation",null,null,"No alert found","Michael addition|Michael addition >> P450 Mediated Activation of Heterocyclic Ring Systems|Michael addition >> P450 Mediated Activation of Heterocyclic Ring Systems >> Furans","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["83463-62-1","bromochloroacetic acid;bromochloroacetonitrile;(±)-form, nitrile","C(#N)C(Cl)Br","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","N/A","YES","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups","No alert found","Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups","Aliphatic halogens","Aliphatic halogen"]
["86853-91-0","4,5-oxochrysene;4h-cyclopenta(def)chrysen-4-one","C12C(c3c4C(=Cc5c4c(ccc5)cc3)C=1)=CC(=O)C=C2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinone methides|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Quinone methides","Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated ketones","No alert found","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinone methides|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Quinone methides","No alert found","No alert found"]
["88492-34-6","adenin-9-yl;9h-purine-9-ethanol, 6-amino-alpha-(azidomethyl)-","c1(N)c2c(N(CC(O)CN=N#N)C=N2)ncn1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","N/A","YES","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","No alert found","Azide and triazene groups (Genotox)|Imidazole, benzimidazole (Nongenotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity","No alert found","Azide and triazene groups|Primary aromatic amine,hydroxyl amine and its derived esters","Azide and triazene groups|H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters"]
["88847-41-0","anti-9-hydroxychrysene-1,2-diol-3,4-epoxide;chryseno(3,4-b)oxirene-1,2,8-triol, 1,2,2a,3a-tetrahydro-, (1-alpha,2-beta,2a-alpha,3a-alpha)-","c12c(c3c(c4c(C(O)C(O)C5C4O5)cc3)cc1)cc(O)cc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Hansen K. et al.","No","No S9 info","J. Chem. Inf. Model., 2009, 49 (9), pp 2077–2081","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",2009,"No information for Salmonella thyphimurium strain and S9 metabolic activation",null,null,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides","Epoxides and aziridines (Genotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","Epoxides and aziridines|Polycyclic Aromatic Hydrocarbons","Epoxides and aziridines|H-acceptor-path3-H-acceptor|Polycyclic Aromatic Hydrocarbons"]
["90811-87-3","4-phenoxychalcone","c1(C(=O)C=Cc2ccc(Oc3ccccc3)cc2)ccccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","N/A","YES","Hansen K. et al.","No","No S9 info","J. Chem. Inf. Model., 2009, 49 (9), pp 2077–2081","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",2009,"No information for Salmonella thyphimurium strain and S9 metabolic activation",null,null,"No alert found","No alert found","Alkylbenzenes (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","No alert found","1-phenoxy-benzene"]
["91598-92-4","1-acetamidopyren-8-ol;acetamide, n-(8-hydroxy-1-pyrenyl)-","c1(O)c2c3c4c(c(NC(C)=O)ccc4ccc3cc1)cc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Hansen K. et al.","No","No S9 info","J. Chem. Inf. Model., 2009, 49 (9), pp 2077–2081","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",2009,"No information for Salmonella thyphimurium strain and S9 metabolic activation",null,null,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","No alert found","Aromatic N-acyl amine (Genotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","Aromatic N-acyl amine|Polycyclic Aromatic Hydrocarbons","Aromatic N-acyl amine|H-acceptor-path3-H-acceptor|Polycyclic Aromatic Hydrocarbons"]
["92433-40-4","3-chloro-2-acetylaminofluorene;acetamide, n-(3-chloro-9h-fluoren-2-yl)-","c12-c3c(cc(NC(C)=O)c(Cl)c3)Cc1cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"No alert found","No alert found","Aromatic N-acyl amine (Genotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Aromatic N-acyl amine|Polycyclic Aromatic Hydrocarbons","Aromatic N-acyl amine|H-acceptor-path3-H-acceptor|Polycyclic Aromatic Hydrocarbons"]
["94764-55-3","3-nitrodibenzothiophene;dibenzothiophene, 3-nitro-","c12-c3c(cc(N(=O)=O)cc3)Sc1cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro","Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Heterocyclic Polycyclic Aromatic Hydrocarbons|Nitro-aromatic","Heterocyclic Polycyclic Aromatic Hydrocarbons|Nitro-aromatic"]
["96563-06-3","2,3,9-trimethylfluorene;9h-fluorene, 2,3,9-trimethyl-","c12-c3c(C(C)c1cc(C)c(C)c2)cccc3","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","N/A","YES","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"No alert found","No alert found","Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons"]
["97055-37-3","3-(dichloromethyl)-2,4,4-trichloro-2-butenoic acid;2-butenoic acid, 2,4,4-trichloro-3-(dichloromethyl)-","C(=O)(O)C(Cl)=C(C(Cl)Cl)C(Cl)Cl","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","N/A","YES","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives","No alert found","Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives","Aliphatic halogens","Aliphatic halogen|H-acceptor-path3-H-acceptor"]
["97931-39-0","6-nitro-4,5-dihydrobenzo[a]pyrene;benzo(a)pyrene, 4,5-dihydro-6-nitro-","c12c3c4c(c(N(=O)=O)c5c(c4ccc3ccc1)cccc5)CC2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro","Nitro-aromatic (Genotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","Nitro-aromatic|Polycyclic Aromatic Hydrocarbons","Nitro-aromatic|Polycyclic Aromatic Hydrocarbons"]
["98096-09-4","1-methyl-4h-cyclopenta[def]phenanthren-4-one;1-methyl-4h-cyclopenta(def)phenanthren-4-one","c12C(=O)c3c4c(c(C)cc3)ccc(c14)ccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Hansen K. et al.","No","No S9 info","J. Chem. Inf. Model., 2009, 49 (9), pp 2077–2081","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",2009,"No information for Salmonella thyphimurium strain and S9 metabolic activation",null,null,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","No alert found","Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons"]
["98897-14-4","6-n-methylhydroxylaminopurine riboside","c1(NCO)c2c(N(C3C(O)C(O)C(CO)O3)C=N2)ncn1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","N/A","YES","Hansen K. et al.","No","No S9 info","J. Chem. Inf. Model., 2009, 49 (9), pp 2077–2081","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",2009,"No information for Salmonella thyphimurium strain and S9 metabolic activation",null,null,"No alert found","Schiff base formers|Schiff base formers >> Chemicals Activated by P450 to Mono-aldehydes|Schiff base formers >> Chemicals Activated by P450 to Mono-aldehydes >> N-methylol derivates","Imidazole, benzimidazole (Nongenotox)|N-methylol derivatives (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity","No alert found","N-methylol derivatives","H-acceptor-path3-H-acceptor|N-methylol derivatives|Oxolane"]
["99523-57-6","2-chloro-n-(5-methyl-2,1-benzisothiazol-3-yl)acetamide","C12C(=C(NC(=O)CCl)SN=1)C=C(C)C=C2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Hansen K. et al.","No","No S9 info","J. Chem. Inf. Model., 2009, 49 (9), pp 2077–2081","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",2009,"No information for Salmonella thyphimurium strain and S9 metabolic activation",null,null,"No alert found","No alert found","Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Aliphatic halogens","Aliphatic halogen|H-acceptor-path3-H-acceptor"]
["102000-59-9","2,6-diaminobenzoic acid;benzoic acid, 2,6-diamino-","C(=O)(O)c1c(N)cccc1N","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["103124-62-5","benzidine diethyl malonate hydrazone","C(=O)(C(C(=O)OCC)=NNc1ccc(-c2ccc(NN=C(C(=O)OCC)C(=O)OCC)cc2)cc1)OCC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Hansen K. et al.","No","No S9 info","J. Chem. Inf. Model., 2009, 49 (9), pp 2077–2081","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",2009,"No information for Salmonella thyphimurium strain and S9 metabolic activation",null,null,"No alert found","No alert found","Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Hydrazine","H-acceptor-path3-H-acceptor|Hydrazine"]
["104535-31-1","4-amino-3-nitro-5-beta-hydroxypropylaniline","c1(N(=O)=O)c(N)c(CC(C)O)cc(N)c1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Hansen K. et al.","No","No S9 info","J. Chem. Inf. Model., 2009, 49 (9), pp 2077–2081","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",2009,"No information for Salmonella thyphimurium strain and S9 metabolic activation",null,null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN1 >> Nitrenium ion formation >> Nitro Compounds","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro","Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","Nitro-aromatic","H-acceptor-path3-H-acceptor|Nitro-aromatic"]
["105427-02-9","n-benzyl-2,3-epoxypropanamide;propionamide, n-benzyl-2,3-epoxy-","C(=O)(C1CO1)NCc1ccccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","N/A","YES","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes|SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides","Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines","Epoxides and aziridines","Epoxides and aziridines|H-acceptor-path3-H-acceptor"]
["106532-60-9","n-(1-acetyl-5-nitro-2,1-benzisothiazol-3(1h)-ylidene)acetamide","C1(=NC(C)=O)c2c(ccc(N(=O)=O)c2)N(C(C)=O)S1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","N/A","YES","Hansen K. et al.","No","No S9 info","J. Chem. Inf. Model., 2009, 49 (9), pp 2077–2081","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",2009,"No information for Salmonella thyphimurium strain and S9 metabolic activation",null,null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro","Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Nitro-aromatic","H-acceptor-path3-H-acceptor|Nitro-aromatic"]
["106686-63-9","z-2,3-dimethoxypropenylbenzene","c1(C=C(COC)OC)ccccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","N/A","YES","Hansen K. et al.","No","No S9 info","J. Chem. Inf. Model., 2009, 49 (9), pp 2077–2081","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",2009,"No information for Salmonella thyphimurium strain and S9 metabolic activation",null,null,"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["108618-28-6","4-amino-3'-cyanostilbene;benzonitrile, 3-(2-(4-aminophenyl)ethenyl)-","C(#N)c1cc(C=Cc2ccc(N)cc2)ccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","N/A","YES","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Primary aromatic amine,hydroxyl amine and its derived esters","Primary aromatic amine, hydroxyl amine and its derived esters"]
["109897-78-1","2-nitroanthracene trans 7,8-dihydrodiol","C12C(C(O)C(O)C=C1)=CC1C=C(N(=O)=O)C=CC1C=2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","N/A","YES","Hansen K. et al.","No","No S9 info","J. Chem. Inf. Model., 2009, 49 (9), pp 2077–2081","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",2009,"No information for Salmonella thyphimurium strain and S9 metabolic activation",null,null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","No alert found","No alert found","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","No alert found","H-acceptor-path3-H-acceptor"]
["111249-52-6","1,4-dimethyl-3-aminocarbazole","c12-c3c(c(C)cc(N)c3C)Nc1cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Hansen K. et al.","No","No S9 info","J. Chem. Inf. Model., 2009, 49 (9), pp 2077–2081","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",2009,"No information for Salmonella thyphimurium strain and S9 metabolic activation",null,null,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Heterocyclic Polycyclic Aromatic Hydrocarbons|Primary aromatic amine,hydroxyl amine and its derived esters","Heterocyclic Polycyclic Aromatic Hydrocarbons|Primary aromatic amine, hydroxyl amine and its derived esters"]
["111712-49-3","tris(3,4-dibromobutyl)phosphate","C(Br)(CCOP(=O)(OCCC(Br)CBr)OCCC(Br)CBr)CBr","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Hansen K. et al.","No","No S9 info","J. Chem. Inf. Model., 2009, 49 (9), pp 2077–2081","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",2009,"No information for Salmonella thyphimurium strain and S9 metabolic activation",null,null,"SN2|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation >> Vicinal Dihaloalkanes|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates","SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> 1,2-Dihaloalkanes","Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid (Genotox)|Structural alert for genotoxic carcinogenicity","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates","Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid","Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid|H-acceptor-path3-H-acceptor"]
["112022-13-6","n-[2-(dimethylamino)ethyl]-10h-phenoxazine-1-carboxamide;10h-phenoxazine-1-carboxamide, n-(2-(dimethylamino)ethyl)-","C(=O)(c1c2c(ccc1)Oc1c(cccc1)N2)NCCN(C)C","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"No alert found","SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","No alert found","No alert found","No alert found","1-phenoxy-benzene|H-acceptor-path3-H-acceptor"]
["113163-21-6","benzo[h]quinoline-7,8-dihydrodiol;benzo(h)quinoline-7,8-diol, 7,8-dihydro-, trans-","c12c(c3c(C(O)C(O)C=C3)cc1)nccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","N/A","YES","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["115550-35-1","marbofloxacin;7h-pyrido(3,2,1-ij)(4,1,2)benzoxadiazine-6-carboxylic acid, 2,3-dihydro-9-fluoro-3-methyl-10-(4-methyl-1-piperazinyl)-7-oxo-","C(=O)(O)C1C(=O)c2c3c(c(N4CCN(C)CC4)c(F)c2)OCN(C)N3C=1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"No alert found","SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","Halogenated benzene (Nongenotox)|Hydrazine (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity","No alert found","Hydrazine","H-acceptor-path3-H-acceptor|Hydrazine"]
["116374-66-4","n'-(4-fluoro-1-nitro-9-acridinyl)-n,n-dimethyl-1,3-propanediamine;n'-(4-fluoro-1-nitro-acridin-9-yl)-n,n-dimethyl-propane-1,3-diamine;1,3-propanediamine, n,n-dimethyl-n'-(4-fluoro-1-nitro-9-acridinyl)-","c12c(c(NCCCN(C)C)c3c(c(F)ccc3N(=O)=O)n1)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Moderate Quality","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition|SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro","Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","Heterocyclic Polycyclic Aromatic Hydrocarbons|Nitro-aromatic","Heterocyclic Polycyclic Aromatic Hydrocarbons|Nitro-aromatic"]
["118326-95-7","6-methoxy-trans-1,2,3,4,4a,10a-hexahydrophenanthrene","c12c(C3C(C=C1)CCCC3)cc(OC)cc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Hansen K. et al.","No","No S9 info","J. Chem. Inf. Model., 2009, 49 (9), pp 2077–2081","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",2009,"No information for Salmonella thyphimurium strain and S9 metabolic activation",null,null,"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["119631-00-4","3,3'-diamino-4,4'-dimethylazobenzene","c1(C)c(N)cc(N=Nc2cc(N)c(C)cc2)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","N/A","YES","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic azo|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Aromatic diazo (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","Aromatic diazo|Primary aromatic amine,hydroxyl amine and its derived esters","Aromatic diazo|H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters"]
["121010-10-4","(rs)-1'-dehydropenbutolol;2-propanol, 1-(2-(1-cyclopenten-1-yl)phenoxy)-3-((1,1-dimethylethyl)amino)-, (+-)-","C1(c2c(OCC(O)CNC(C)(C)C)cccc2)=CCCC1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Hansen K. et al.","No","No S9 info","J. Chem. Inf. Model., 2009, 49 (9), pp 2077–2081","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",2009,"No information for Salmonella thyphimurium strain and S9 metabolic activation",null,null,"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["122551-89-7","3-chloro-4-(dichloromethyl)-2(5h)-furanone;3-chloro-4-(dichloromethyl)-2-(5h)-furanone;2(5h)-furanone, 3-chloro-4-(dichloromethyl)-","C1(=O)C(Cl)=C(C(Cl)Cl)CO1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives","No alert found","Aliphatic halogens (Genotox)|alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives","Aliphatic halogens|alpha,beta-unsaturated carbonyls","Aliphatic halogen|alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor"]
["125279-82-5","(s)-glycidyl 4-nitrophenyl ether","c1(OCC2CO2)ccc(N(=O)=O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","N/A","YES","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro|SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides","Epoxides and aziridines (Genotox)|Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines","Epoxides and aziridines|Nitro-aromatic","Epoxides and aziridines|H-acceptor-path3-H-acceptor|Nitro-aromatic"]
["127045-41-4","t-3761;(-)-(3s)-10-(1-aminocyclopropyl)-9-fluoro-2,3-dihydro-3-methyl-7-oxo-7h-pyrido(1,2,3-de)-1,4-benzoxazine-6-carboxylic acid","C(=O)(O)C1C(=O)c2c3c(c(C4(N)CC4)c(F)c2)OCC(C)N3C=1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","N/A","YES","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"No alert found","No alert found","Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["128753-94-6","2a,7b-dihydro-2a,7b-bis(hydroxymethyl)-1,2-dioxeto[3,4-b]benzofuran;2a,7b-dihydro-2a,7b-bis(hydroxymethyl)-1,2-dioxeto(3,4-b)benzofuran","C12(CO)C(CO)(c3c(cccc3)O1)OO2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Hansen K. et al.","No","No S9 info","J. Chem. Inf. Model., 2009, 49 (9), pp 2077–2081","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",2009,"No information for Salmonella thyphimurium strain and S9 metabolic activation",null,null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Organic Peroxy Compounds","No alert found","No alert found","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Organic Peroxy Compounds","No alert found","H-acceptor-path3-H-acceptor"]
["130536-39-9","(+/-)-7,8-epoxy-7,8-dihydroquinoline","c12c(C3C(C=C1)O3)nccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","N/A","YES","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines","SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides","Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines","Epoxides and aziridines","Epoxides and aziridines|H-acceptor-path3-H-acceptor"]
["131119-01-2","2-(2-chloroethoxycarbonylmethyl)-1-methylindole-3-carboxylic acid","C(=O)(O)C1c2c(cccc2)N(C)C=1CC(=O)OCCCl","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Hansen K. et al.","No","No S9 info","J. Chem. Inf. Model., 2009, 49 (9), pp 2077–2081","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",2009,"No information for Salmonella thyphimurium strain and S9 metabolic activation",null,null,"SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Heteroatom","SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides","Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Aliphatic halogens","Aliphatic halogen|H-acceptor-path3-H-acceptor"]
["132663-51-5","o-nitrobenzyl propionate","c1(N(=O)=O)c(COC(=O)CC)cccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Hansen K. et al.","No","No S9 info","J. Chem. Inf. Model., 2009, 49 (9), pp 2077–2081","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",2009,"No information for Salmonella thyphimurium strain and S9 metabolic activation",null,null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro","Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Nitro-aromatic","H-acceptor-path3-H-acceptor|Nitro-aromatic"]
["133591-33-0","1,4-dimethyl-3-nitrocarbazole;9h-carbazole, 1,4-dimethyl-3-nitro-","c12-c3c(c(C)cc(N(=O)=O)c3C)Nc1cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro","Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","Heterocyclic Polycyclic Aromatic Hydrocarbons|Nitro-aromatic","Heterocyclic Polycyclic Aromatic Hydrocarbons|Nitro-aromatic"]
["134998-71-3","mono(2-ethyl-5-hydroxyhexyl) adipate;hexanedioic acid, mono(2-ethyl-5-hydroxyhexyl) ester","C(=O)(O)CCCCC(=O)OCC(CCC(C)O)CC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Hansen K. et al.","No","No S9 info","J. Chem. Inf. Model., 2009, 49 (9), pp 2077–2081","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",2009,"No information for Salmonella thyphimurium strain and S9 metabolic activation",null,null,"No alert found","No alert found","Phtalate (or buthyl) diesters and monoesters (Nongenotox)|Structural alert for nongenotoxic carcinogenicity|Substituted n-alkylcarboxylic acids (Nongenotox)","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["139259-92-0","n-(acetyloxy)-n-[(4-phenoxyphenyl)methoxy]benzamide;n-(acetyloxy)-n-((4-phenoxyphenyl)methoxy)benzamide","C(=O)(c1ccccc1)N(OC(C)=O)OCc1ccc(Oc2ccccc2)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Hansen K. et al.","No","No S9 info","J. Chem. Inf. Model., 2009, 49 (9), pp 2077–2081","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",2009,"No information for Salmonella thyphimurium strain and S9 metabolic activation",null,null,"SN1|SN1 >> Nitrenium ion and/or Acyl ion formation|SN1 >> Nitrenium ion and/or Acyl ion formation >> N-acyloxy-N-alkoxyamides|SN2|SN2 >> SN2 at Nitrogen Atom|SN2 >> SN2 at Nitrogen Atom >> N-acetoxyamines","SN2|SN2 >> SN2 at a Nitrogen atom|SN2 >> SN2 at a Nitrogen atom >> N-acyloxy-N-alkoxyamides","No alert found","SN1|SN1 >> Nitrenium ion and/or Acyl ion formation|SN1 >> Nitrenium ion and/or Acyl ion formation >> N-acyloxy-N-alkoxyamides|SN2|SN2 >> SN2 at Nitrogen Atom|SN2 >> SN2 at Nitrogen Atom >> N-acetoxyamines","No alert found","1-phenoxy-benzene|H-acceptor-path3-H-acceptor"]
["141511-31-1","3-nitrodibenz[a,h]anthracene;dibenz(a,h)anthracene, 3-nitro-","c12c(c3c(cc4c5c(cc(N(=O)=O)cc5)ccc4c3)cc1)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro","Nitro-aromatic (Genotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","Nitro-aromatic|Polycyclic Aromatic Hydrocarbons","Nitro-aromatic|Polycyclic Aromatic Hydrocarbons"]
["142438-59-3","3,4-epoxy-5-isopropyl-3-(methoxycarbonyl)-4-methyl-gamma-butyrolactone","C(=O)(C12C(C)(C(C(C)C)OC1=O)O2)OC","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","N/A","YES","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"Michael addition|Michael addition >> alpha, beta-unsaturated carabonyl compounds|Michael addition >> alpha, beta-unsaturated carabonyl compounds >> Four- and Five-Membered Lactones|SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines|SN2 >> Ring opening SN2 reaction|SN2 >> Ring opening SN2 reaction >> Four- and Five-Membered Lactones","No alert found","Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines","Epoxides and aziridines","Epoxides and aziridines|H-acceptor-path3-H-acceptor|Oxolane"]
["143922-97-8","3,3'-diamino-2,2'-dimethylazobenzene","c1(N)c(C)c(N=Nc2c(C)c(N)ccc2)ccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Hansen K. et al.","No","No S9 info","J. Chem. Inf. Model., 2009, 49 (9), pp 2077–2081","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",2009,"No information for Salmonella thyphimurium strain and S9 metabolic activation",null,null,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic azo|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Aromatic diazo (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","Aromatic diazo|Primary aromatic amine,hydroxyl amine and its derived esters","Aromatic diazo|H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters"]
["145763-35-5","fusarin z;6-oxa-3-azabicyclo(3.1.0)hexan-2-one, 1-(9-(2,5-dihydro-2-oxo-3-furanyl)-2,6,8-trimethyl-1-oxo-2,4,6,8-nonatetraenyl)-4-hydroxy-4-(2-hydroxyethyl)-, (1r-(1alpha(2e,4e,6e,8e),4alpha,5alpha))-","C1(=O)C2(C(=O)C(C)=CC=CC(C)=CC(C)=CC3C(=O)OCC=3)C(C(O)(CCO)N1)O2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","N/A","YES","Hansen K. et al.","No","No S9 info","J. Chem. Inf. Model., 2009, 49 (9), pp 2077–2081","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",2009,"No information for Salmonella thyphimurium strain and S9 metabolic activation",null,null,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines","Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated ketones|SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides","alpha,beta-unsaturated carbonyls (Genotox)|Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines","alpha,beta-unsaturated carbonyls|Epoxides and aziridines","alpha,beta-unsaturated carbonyls|Epoxides and aziridines|H-acceptor-path3-H-acceptor"]
["146795-33-7","n-(2-ethylphenyl)-5-nitro-3-thiophenecarboxamide;3-thiophenecarboxamide, n-(2-ethylphenyl)-5-nitro-","C(=O)(C1C=C(N(=O)=O)SC=1)Nc1c(CC)cccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Unsaturated heterocyclic nitro","alpha,beta-unsaturated carbonyls (Genotox)|Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","alpha,beta-unsaturated carbonyls|Nitro-aromatic","alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor|Nitro-aromatic"]
["149127-56-0","2-methylazo-2-propyl hydroperoxide","C(C)(C)(N=NC)OO","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Hansen K. et al.","No","No S9 info","J. Chem. Inf. Model., 2009, 49 (9), pp 2077–2081","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",2009,"No information for Salmonella thyphimurium strain and S9 metabolic activation",null,null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Organic Peroxy Compounds","No alert found","Aliphatic azo and azoxy (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Organic Peroxy Compounds","Aliphatic azo and azoxy","Aliphatic azo and azoxy|H-acceptor-path3-H-acceptor"]
["149418-41-7","3,4-dibromo-2(5h)-furanone","C1(=O)C(Br)=C(Br)CO1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Hansen K. et al.","No","No S9 info","J. Chem. Inf. Model., 2009, 49 (9), pp 2077–2081","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",2009,"No information for Salmonella thyphimurium strain and S9 metabolic activation",null,null,"Acylation|Acylation >> Acyl transfer via nucleophilic addition reaction|Acylation >> Acyl transfer via nucleophilic addition reaction >> Haloalkenes with Electron-Withdrawing Groups|SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Haloalkenes with Electron-Withdrawing Groups|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Haloalkenes with Electron-Withdrawing Groups|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives","No alert found","alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity","Acylation|Acylation >> Acyl transfer via nucleophilic addition reaction|Acylation >> Acyl transfer via nucleophilic addition reaction >> Haloalkenes with Electron-Withdrawing Groups|SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Haloalkenes with Electron-Withdrawing Groups|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Haloalkenes with Electron-Withdrawing Groups|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives","alpha,beta-unsaturated carbonyls","alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor"]
["153654-35-4","2-hydroxy-1-nitrocarbazole","c12-c3c(c(N(=O)=O)c(O)cc3)Nc1cccc2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Hansen K. et al.","No","No S9 info","J. Chem. Inf. Model., 2009, 49 (9), pp 2077–2081","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",2009,"No information for Salmonella thyphimurium strain and S9 metabolic activation",null,null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","No alert found","Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","Heterocyclic Polycyclic Aromatic Hydrocarbons","H-acceptor-path3-H-acceptor|Heterocyclic Polycyclic Aromatic Hydrocarbons"]
["158729-21-6","n-(3-methylphenyl)-8-quinolinesulfonamide","c1(S(=O)(=O)Nc2cc(C)ccc2)c2c(cccn2)ccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Hansen K. et al.","No","No S9 info","J. Chem. Inf. Model., 2009, 49 (9), pp 2077–2081","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",2009,"No information for Salmonella thyphimurium strain and S9 metabolic activation",null,null,"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["158729-28-3","n-(3,4-dichlorophenyl)-8-quinolinesulfonamide","c1(S(=O)(=O)Nc2cc(Cl)c(Cl)cc2)c2c(cccn2)ccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Hansen K. et al.","No","No S9 info","J. Chem. Inf. Model., 2009, 49 (9), pp 2077–2081","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",2009,"No information for Salmonella thyphimurium strain and S9 metabolic activation",null,null,"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["159714-84-8","1-methylbenz[a]anthracene 5,6-imine","c1(C)c2c(c3c(c4c2cc2c(cccc2)c4)N3)ccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Hansen K. et al.","No","No S9 info","J. Chem. Inf. Model., 2009, 49 (9), pp 2077–2081","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",2009,"No information for Salmonella thyphimurium strain and S9 metabolic activation",null,null,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition","Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons"]
["163275-59-0","6-fluorobenzo[h]quinoline;6-fluorobenzo(h)quinoline","c1(F)c2c(c3c(cccn3)c1)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Hansen K. et al.","No","No S9 info","J. Chem. Inf. Model., 2009, 49 (9), pp 2077–2081","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",2009,"No information for Salmonella thyphimurium strain and S9 metabolic activation",null,null,"No alert found","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1","Halogenated benzene (Nongenotox)|Halogenated PAH (naphthalenes, biphenyls, diphenyls) (Nongenotox)|Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity","No alert found","Heterocyclic Polycyclic Aromatic Hydrocarbons","Heterocyclic Polycyclic Aromatic Hydrocarbons"]
["173216-44-9","1-azido-3,3-diphenylpropane","c1(C(c2ccccc2)CCN=N#N)ccccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Hansen K. et al.","No","No S9 info","J. Chem. Inf. Model., 2009, 49 (9), pp 2077–2081","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",2009,"No information for Salmonella thyphimurium strain and S9 metabolic activation",null,null,"No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes","Azide and triazene groups (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Azide and triazene groups","Azide and triazene groups"]
["188107-72-4","1,4,6-trimethyl-3-nitrocarbazole","c12-c3c(c(C)cc(N(=O)=O)c3C)Nc1ccc(C)c2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","P&G","No","without S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro","Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","Heterocyclic Polycyclic Aromatic Hydrocarbons|Nitro-aromatic","Heterocyclic Polycyclic Aromatic Hydrocarbons|Nitro-aromatic"]
["199536-84-0","3-bromo-4-(chloromethyl)-2(5h)-furanone;2(5h)-furanone, 3-bromo-4-(chloromethyl)-","C1(=O)C(Br)=C(CCl)CO1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Hansen K. et al.","No","No S9 info","J. Chem. Inf. Model., 2009, 49 (9), pp 2077–2081","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",2009,"No information for Salmonella thyphimurium strain and S9 metabolic activation",null,null,"Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives","SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides","Aliphatic halogens (Genotox)|alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity","Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives","Aliphatic halogens|alpha,beta-unsaturated carbonyls","Aliphatic halogen|alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor"]
["244775-76-6","n-(acetyloxy)-n-propoxybenzamide;benzamide, n-(acetyloxy)-n-propoxy-","C(=O)(c1ccccc1)N(OC(C)=O)OCCC","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Hansen K. et al.","No","No S9 info","J. Chem. Inf. Model., 2009, 49 (9), pp 2077–2081","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",2009,"No information for Salmonella thyphimurium strain and S9 metabolic activation",null,null,"SN1|SN1 >> Nitrenium ion and/or Acyl ion formation|SN1 >> Nitrenium ion and/or Acyl ion formation >> N-acyloxy-N-alkoxyamides|SN2|SN2 >> SN2 at Nitrogen Atom|SN2 >> SN2 at Nitrogen Atom >> N-acetoxyamines","SN2|SN2 >> SN2 at a Nitrogen atom|SN2 >> SN2 at a Nitrogen atom >> N-acyloxy-N-alkoxyamides","No alert found","SN1|SN1 >> Nitrenium ion and/or Acyl ion formation|SN1 >> Nitrenium ion and/or Acyl ion formation >> N-acyloxy-N-alkoxyamides|SN2|SN2 >> SN2 at Nitrogen Atom|SN2 >> SN2 at Nitrogen Atom >> N-acetoxyamines","No alert found","H-acceptor-path3-H-acceptor"]
["314084-63-4","3,5-diethyl-4-aminobiphenyl","c1(-c2cc(CC)c(N)c(CC)c2)ccccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","P&G","No","without S9",null,"TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","No alert found","No alert found","No alert found","No alert found","No alert found"]
["723-46-6","4-amino-n-(5-methyl-isoxazol-3-yl)-benzenesulfonamide;sulfamethoxazole;benzenesulfonamide, 4-amino-n-(5-methyl-3-isoxazolyl)-;4-amino-n-(5-methylisoxazol-3-yl)benzenesulfonamide;4-amino-n-(5-methyl-3-isoxazolyl)benzenesulfonamide;723-46-6","C1(NS(=O)(=O)c2ccc(N)cc2)C=C(C)ON=1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Benzenesulfonic ethers, methylation (Nongenotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","Primary aromatic amine,hydroxyl amine and its derived esters","H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters"]
["58-33-3","promethazine hydrochloride;dimethyl-(1-methyl-2-phenothiazin-10-yl-ethyl)-amine;hydrochloride;promethazine.hcl;10h-phenothiazine-10-ethanamine, n,n,.alpha.-trimethyl-, monohydrochloride;n,n-dimethyl-1-(10h-phenothiazin-10-yl)propan-2-amine hydrochloride","c12c(cccc1)N(CC(C)N(C)C)c1c(cccc1)S2_Cl","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","No alert found|SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["58-33-3","promethazine hydrochloride;dimethyl-(1-methyl-2-phenothiazin-10-yl-ethyl)-amine;hydrochloride;promethazine.hcl;10h-phenothiazine-10-ethanamine, n,n,.alpha.-trimethyl-, monohydrochloride;n,n-dimethyl-1-(10h-phenothiazin-10-yl)propan-2-amine hydrochloride","c12c(cccc1)N(CC(C)N(C)C)c1c(cccc1)S2_Cl","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","No alert found|SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["61-82-5","1h-[1,2,4]triazol-3-ylamine;3-aminotriazole;1h-1,2,4-triazol-3-amine;delta2-1,2,4-triazoline, 5-imino- (8ci)","C1(N)=NN=CN1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary (unsaturated) heterocyclic amine","Hydrazine (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Hydrazine|Primary aromatic amine,hydroxyl amine and its derived esters","H-acceptor-path3-H-acceptor|Hydrazine|Primary aromatic amine, hydroxyl amine and its derived esters"]
["2243-76-7","2-hydroxy-5-(4-nitro-phenylazo)-benzoic acid;benzoic acid, 2-hydroxy-5- (4-nitrophenyl)azo -;benzoic acid, 2-hydroxy-5-[(4-nitrophenyl)azo]-;5-(p-nitrophenylazo)salicylic acid;alizarin yellow r, sodium salt;2-hydroxy-5-[(4-nitrophenyl)diazenyl]benzoic acid","C(=O)(O)c1c(O)ccc(N=Nc2ccc(N(=O)=O)cc2)c1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic azo|SN1 >> Nitrenium Ion formation >> Aromatic nitro","Aromatic diazo (Genotox)|Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","Aromatic diazo|Nitro-aromatic","Aromatic diazo|H-acceptor-path3-H-acceptor|Nitro-aromatic"]
["77-95-2","(3r,5r)-1,3,4,5-tetrahydroxy-cyclohexanecarboxylic acid;quinic acid;1,3,4,5-tetrahydroxycyclohexanecarboxylic acid;cyclohexanecarboxylic acid, 1,3,4,5-tetrahydroxy-, [1r-(1.alpha.,3.alpha.,4.alpha.,5.beta.)]-;cyclohexanecarboxylic acid, 1,3,4,5-tetrahydroxy-, (1theta-(1alpha,3alpha,4alpha,5beta))-","C(=O)(O)C1(O)CC(O)C(O)C(O)C1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["548-62-9","gentian violet;chloride;{4-[bis-(4-dimethylamino-phenyl)-methylene]-cyclohexa-2,5-dienylidene}-dimethyl-ammonium;crystal violet (basic violet 3);[4-[4,4'-bis(dimethylamino)benzhydrylidene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium chloride;methanaminium, n-[4-[bis[4-(dimethylamino)phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-n-methyl-, chloride;methanaminium, n-[4-[bis[4-(dimethylamino)phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-n-methyl-,;c.i. basic violet 3;methanaminium, n-Х4-ХbisХ4-(dimethylamino)phenylеmethyleneе-2,5-cyclohexadien-1-ylideneе-n-methyl-, chloride;n-(4-{bis[4-(dimethylamino)phenyl]methylene}cyclohexa-2,5-dien-1-ylidene)-n-methylmethanaminium chloride;n-(4-(bis(4-(dimethylamino)phenyl)methylene)-2,5-cyclohexadien-1-ylidene)-n-methylmethanaminium, chloride","c1(C(c2ccc(N(C)C)cc2)=C2C=CC(=N{+}(C)(C).Cl{-})C=C2)ccc(N(C)C)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","No alert found","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine","Aromatic mono-and dialkylamine (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Aromatic mono-and dialkylamine","Aromatic mono- and dialkylamine"]
["548-62-9","gentian violet;chloride;{4-[bis-(4-dimethylamino-phenyl)-methylene]-cyclohexa-2,5-dienylidene}-dimethyl-ammonium;crystal violet (basic violet 3);[4-[4,4'-bis(dimethylamino)benzhydrylidene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium chloride;methanaminium, n-[4-[bis[4-(dimethylamino)phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-n-methyl-, chloride;methanaminium, n-[4-[bis[4-(dimethylamino)phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-n-methyl-,;c.i. basic violet 3;methanaminium, n-Х4-ХbisХ4-(dimethylamino)phenylеmethyleneе-2,5-cyclohexadien-1-ylideneе-n-methyl-, chloride;n-(4-{bis[4-(dimethylamino)phenyl]methylene}cyclohexa-2,5-dien-1-ylidene)-n-methylmethanaminium chloride;n-(4-(bis(4-(dimethylamino)phenyl)methylene)-2,5-cyclohexadien-1-ylidene)-n-methylmethanaminium, chloride","c1(C(c2ccc(N(C)C)cc2)=C2C=CC(=N{+}(C)(C).Cl{-})C=C2)ccc(N(C)C)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","No alert found","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine","Aromatic mono-and dialkylamine (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Aromatic mono-and dialkylamine","Aromatic mono- and dialkylamine"]
["112-62-9","9-octadecenoic acid (9z)-, methyl ester;methyl oleate;9-octadecenoic acid;oleic acid/methyl ester;9-octadecenoic acid (z)-, methyl ester;9-octadecenoic acid, methyl ester;oleic acid, methyl ester;methyl (9z)-octadec-9-enoate;9-octadecenoic acid, methyl ester, (z)-;(z)-9-octadecanoic acid, methyl ester;(<i>z</i>)-form, me ester","C(=O)(CCCCCCCC=CCCCCCCCC)OC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["135-23-9","methapyrilene hydrochloride;methapyrilene.hcl;methapyrilene hcl;1,2-ethanediamine, n,n-dimethyl-n'-2-pyridinyl-n'-(2-thienylmethyl)-, monohydrochloride;n,n-dimethyl-n'-(pyridin-2-yl)-n'-(thiophen-2-ylmethyl)ethane-1,2-diamine hydrochloride","c1(N(CC2=CC=CS2)CCN(C)C)ccccn1_Cl","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","Michael addition|Michael addition >> P450 Mediated Activation of Heterocyclic Ring Systems|Michael addition >> P450 Mediated Activation of Heterocyclic Ring Systems >> Thiophenes-Michael addition|No alert found|SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine|SN2|SN2 >> P450 Mediated Epoxidation|SN2 >> P450 Mediated Epoxidation >> Thiophenes-SN2","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["13552-44-8","4,4'-methylenedianiline.2hcl;4,4'-methylenedianiline 2hcl;methylenedianiline dihydrochloride;4,4'-methylenedianilinium dichloride;benzenamine, 4,4'-methylenebis-, dihydrochloride;4,4’-methylenedianiline dihydrochloride","c1(N)ccc(Cc2ccc(N)cc2)cc1_Cl_Cl","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","No alert found|SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","Primary aromatic amine,hydroxyl amine and its derived esters","Primary aromatic amine, hydroxyl amine and its derived esters"]
["366-70-1","procarbazine hydrochloride;procarbazine.hcl;procarbazine hcl [natulan];4-[(2-methylhydrazinyl)methyl]-n-(propan-2-yl)benzamide hydrochloride","C(=O)(c1ccc(CNNC)cc1)NC(C)C_Cl","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","No alert found","No alert found","Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Hydrazine","H-acceptor-path3-H-acceptor|Hydrazine"]
["15481-70-6","2,6-toluenediamine dihydrochloride;2,6-diaminotoluene.2hcl;2,6-diaminotoluene-2hcl;toluenediamine hydrochloride, 2,6-;toluene-2,6-diamine, dihydrochloride;2-methylbenzene-1,3-diamine dihydrochloride;1,3-benzenediamine, 2-methyl-, dihydrochloride","c1(N)c(C)c(N)ccc1_Cl_Cl","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","No alert found|SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","Primary aromatic amine,hydroxyl amine and its derived esters","Primary aromatic amine, hydroxyl amine and its derived esters"]
["89-78-1","menthol;dl-menthol;dl-menthol-rel;cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1?,2?,5?)-;cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1r,2s,5r)-rel-;racementhol [ban:inn];5-methyl-2-(propan-2-yl)cyclohexanol;cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1.alpha.,2.beta.,5.alpha.)-;5-methyl-2-(1-methylethyl)cyclohexanol;(1r,2s,5r)-rel-5-methyl-2-(1-methylethyl)cyclohexanol;menthol (d/l-menthol);2-isopropyl-5-methylcyclohexanol;cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1alpha,2beta,5alpha)-;89-78-1","C(C)(C)C1C(O)CC(C)CC1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 97","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["834-28-6","phenformin hydrochloride;phenformin.hcl;n-(2-phenylethyl)imidodicarbonimidic diamide hydrochloride;imidodicarbonimidic diamide, n-(2-phenylethyl)-, monohydrochloride","c1(CCNC(=N)NC(=N)N)ccccc1_Cl","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes|No alert found","No alert found","No alert found","No alert found","No alert found"]
["6533-68-2","scopolamine hydrobromide trihydrate;scopolamine hydrobromide [usan];benzeneacetic acid, ±-(hydroxymethyl)-, (1±,2?,4?,5±,7?)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl ester, hydrobromide, hydrate (1:1:3), (±s)-;benzeneacetic acid, ?-(hydroxymethyl)-, (1?,2?,4?,5?,7?)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl ester, hydrobromide, hydrate (1:1:3), (?s)-;benzeneacetic acid, .alpha.-(hydroxymethyl)-, 9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl ester, hydrobromide, trihydrate, [7(s)-(1.alpha.,2.beta.,4.beta.,5.alpha.,7.beta.)]-","Br_C(=O)(C(c1ccccc1)CO)OC1CC2C3C(C(C1)N2C)O3_O_O_O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","N/A","YES","P&G","No","without S9",null,"TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found|SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes|No alert found|SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines|SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides","Epoxides and aziridines (Genotox)|No alert found|Structural alert for genotoxic carcinogenicity","No alert found|SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines","Epoxides and aziridines|No alert found","Epoxides and aziridines|H-acceptor-path3-H-acceptor|No alert found"]
["64-75-5","tetracycline hydrochloride;tetracycline.hcl;2-naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, monohydrochloride, (4s,4as,5as,6s,12as)-;2-naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, monohydrochloride, [4s-(4.alpha.,4a.alpha.,5a.alpha.,6.beta.,12a.alpha.)]-;tetracycline hydrochloride [usan:jan];(4s,4as,5as,6s,12as)-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamide monohydrochloride","C(N)(=O)C1C(=O)C2(O)C(O)=C3C(=O)c4c(C(C)(O)C3CC2C(N(C)C)C=1O)cccc4O_Cl","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","N/A","YES","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"No alert found","No alert found|SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","alpha,beta-unsaturated carbonyls","alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor"]
["612-83-9","3,3'-dichlorobenzidine dihydrochloride;3,3'-dichlorobenzidine.2hcl;[1,1'-biphenyl]-4,4'-diamine, 3,3'-dichloro-, dihydrochloride;3,3'-dichlorobiphenyl-4,4'-diamine dihydrochloride;3,3?dichlorobenzidinedihydrochloride","c1(-c2cc(Cl)c(N)cc2)cc(Cl)c(N)cc1_Cl_Cl","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","with S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","No alert found|SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Primary aromatic amine,hydroxyl amine and its derived esters","Primary aromatic amine, hydroxyl amine and its derived esters"]
["1934-21-0","fd & c yellow no. 5;acid yellow 23","C(=O)(O)C1C(N=Nc2ccc(S(=O)(=O)O)cc2)C(=O)N(c2ccc(S(=O)(=O)O)cc2)N=1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality, Conflict","NO","Kirkland et al.","No","No S9 info","Mutation Research 584 (2005) 1-256","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity",null,"No alert found","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Unsaturated heterocyclic azo","Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Hydrazine","H-acceptor-path3-H-acceptor|Hydrazine"]
["533-75-5","2-hydroxy-cyclohepta-2,4,6-trienone;tropolone;2-hydroxycyclohepta-2,4,6-trienone;2-hydroxycyclohepta-2,4,6-trien-1-one;2-hydroxy-2,4,6-cycloheptatrien-1-one","C1(O)C(=O)C=CC=CC=1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","National Cancer Institute","No","with S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,null,"Short-Term Testing Program in the National Cancer Institute (NCI), National Institutes of Health, US Department of Health and Human Services","Source of metabolic system - rat","No alert found","Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated ketones","alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","alpha,beta-unsaturated carbonyls","alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor"]
["25265-71-8","dipropylene glycol;propanol, oxybis-","C(C)(O)COCC(C)O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Moderate Quality, Conflict","NO","National Cancer Institute","No","without S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,null,"Short-Term Testing Program in the National Cancer Institute (NCI), National Institutes of Health, US Department of Health and Human Services",null,"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["86-98-6","quinoline, 4,7-dichloro-;4,7-dichloroquinoline","c1(Cl)c2c(cc(Cl)cc2)ncc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"No alert found","No alert found","Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","No alert found"]
["108-37-2","m-bromochlorobenzene;1-bromo-3-chlorobenzene;benzene, 1-bromo-3-chloro-","c1(Br)cc(Cl)ccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["148-65-2","chlorothen;2-[(5-chloro-2-thienyl)(2-dimethylaminoethyl)amino]-pyridine;1,2-ethanediamine, n-((5-chloro-2-thienyl)methyl)-n',n'-dimethyl-n-2-pyridinyl-","c1(N(CC2=CC=C(Cl)S2)CCN(C)C)ccccn1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Moderate Quality","NO","P&G","No","with S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["303-53-7","cyclobenzaprine","c12C(=C(CC)N(C)C)c3c(C=Cc1cccc2)cccc3","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality, Conflict","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - mouse","No alert found","SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","No alert found","No alert found","No alert found","No alert found"]
["645-00-1","3-iodonitrobenzene;1-iodo-3-nitrobenzene;benzene, 1-iodo-3-nitro-","c1(I)cc(N(=O)=O)ccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Hansen K. et al.","No","No S9 info","J. Chem. Inf. Model., 2009, 49 (9), pp 2077–2081","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",2009,"No information for Salmonella thyphimurium strain and S9 metabolic activation",null,null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro","Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","Nitro-aromatic","Nitro-aromatic"]
["25168-26-7","2,4-d, isooctyl ester;2,4-d isooctyl ester","c1(CC(=O)OCCCCCC(C)C)c(Cl)cc(Cl)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality, Conflict","NO","Hansen K. et al.","No","No S9 info","J. Chem. Inf. Model., 2009, 49 (9), pp 2077–2081","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",2009,"No information for Salmonella thyphimurium strain and S9 metabolic activation",null,null,"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["58-94-6","chlorothiazide;2h-1,2,4-benzothiadiazine-7-sulfonamide, 6-chloro-, 1,1-dioxide;6-chloro-2h-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide","c1(Cl)c(S(N)(=O)=O)cc2c(c1)N=CNS2(=O)=O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","No alert found","Benzenesulfonic ethers, methylation (Nongenotox)|Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["817-99-2","acetamide, n-(2-amino-2-oxoethyl)-2-diazo-","C(=O)(C=N#N)NCC(N)=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality, Conflict","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"SN2|SN2 >> Carbenium Ion Formation|SN2 >> Carbenium Ion Formation >> Diazoalkanes","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Diazoalkanes","Aliphatic azo and azoxy (Genotox)|Structural alert for genotoxic carcinogenicity","SN2|SN2 >> Carbenium Ion Formation|SN2 >> Carbenium Ion Formation >> Diazoalkanes","Aliphatic azo and azoxy","Aliphatic azo and azoxy|H-acceptor-path3-H-acceptor"]
["2438-72-4","bufexamic acid;acetohydroxamic acid, 2-(p-butoxyphenyl)-;bufexamac;2-(4-butoxyphenyl)-n-hydroxyacetamide;benzeneacetamide, 4-butoxy-n-hydroxy-;benzeneacetamide, 4-butoxy-n-hydroxy- (9ci);2438-72-4","c1(OCCCC)ccc(CC(=O)NO)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> N-hydroxylamines","No alert found","No alert found","SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> N-hydroxylamines","No alert found","H-acceptor-path3-H-acceptor"]
["7090-25-7","n-me-n-nitroso-1-naphthylcarbamat;carbamic acid, methylnitroso-, 1-naphthalenyl ester (9ci)","c1(OC(=O)N(C)N=O)c2c(cccc2)ccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - mouse","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2","Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","Alkyl and aryl N-nitroso groups","Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor"]
["55556-88-2","2,5-dime-n,n'-dinitrosopiperazine;piperazine, 2,5-dimethyl-1,4-dinitroso-","C1(C)CN(N=O)C(C)CN1N=O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2","Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","Alkyl and aryl N-nitroso groups","Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor"]
["84-79-7","lapachol;2-hydroxy-3-(3-methylbut-2-enyl)-1,4-naphthoquinone;2-hydroxy-3-(3-methylbut-2-en-1-yl)naphthalene-1,4-dione;1,4-naphthalenedione, 2-hydroxy-3-(3-methyl-2-butenyl)- (9ci)","C1(O)C(=O)c2c(C(=O)C=1CC=C(C)C)cccc2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","National Cancer Institute","No","with S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,null,"Short-Term Testing Program in the National Cancer Institute (NCI), National Institutes of Health, US Department of Health and Human Services","Source of metabolic system - rat","No alert found","Michael addition|Michael addition >> Quinones and Quinone-type Chemicals|Michael addition >> Quinones and Quinone-type Chemicals >> Quinones","Quinones (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Quinones","H-acceptor-path3-H-acceptor|Quinones"]
["525-47-3","5-nitroquinaldic acid;5-nitroquinoline-2-carboxylic acid","C(=O)(O)c1ccc2c(cccc2N(=O)=O)n1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro","Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","Nitro-aromatic","H-acceptor-path3-H-acceptor|Nitro-aromatic"]
["700-06-1","indole-3-carbinol;3-hydroxymethylindole;indole-3-carbinol (i3c);1h-indol-3-ylmethanol;1h-indole-3-methanol;1<i>h</i>-indole-3-methanol","C1(CO)c2c(cccc2)NC=1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","National Cancer Institute","No","with S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,null,"Short-Term Testing Program in the National Cancer Institute (NCI), National Institutes of Health, US Department of Health and Human Services","Source of metabolic system - rat","No alert found","No alert found","Indole-3-carbinol (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","No alert found"]
["1747-60-0","2-amino-6-methoxybenzothiazole;2-benzothiazolamine, 6-methoxy-;benzothiazole, 2-amino-6-methoxy-;6-methoxybenzothiazol-2-ylamine;2-amino-6-methoxybenzothiazol","c12c(cc(OC)cc1)SC(=N)N2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","National Cancer Institute","No","with S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,null,"Short-Term Testing Program in the National Cancer Institute (NCI), National Institutes of Health, US Department of Health and Human Services","Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["469-61-4","alpha-cedrene;1h-3a,7-methanoazulene, 2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-,  3r-(3.alpha.,3a.beta.,7.beta.,8a.alpha.) -;1h-3a,7-methanoazulene, 2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-, 3r-(3.alp;[3r-(3±,3a?,7?,8a±)]-2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-1h-3a,7-methanoazulene;1h-3a,7-methanoazulene, 2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-, [3r-(3?,3a?,7?,8a?)]-;[3r-(3?,3a?,7?,8a?)]-2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-1h-3a,7-methanoazulene;1h-3a,7-methanoazulene, 2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-, (3r,3as,7s,8as)-;cedr-8-ene;1h-3a,7-methanoazulene, 2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-, [3r-(3.alpha.,3a.beta.,7.beta.,8a.alpha.)]-;(3r-(3alpha,3a beta,7beta,8a alpha)]-2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-1h-3a,7-methanoazulene","C1(C)C2C(C)(C)C3C(C(C)CC3)(CC=1)C2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","National Cancer Institute","No","without S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,null,"Short-Term Testing Program in the National Cancer Institute (NCI), National Institutes of Health, US Department of Health and Human Services",null,"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["84-86-6","4-amino-1-naphthalenesulfonic acid;1-naphthalenesulfonic acid, 4-amino-;4-aminonaphthalene-1-sulphonic acid;4-aminonaphthalene-1-sulfonic acid;naphthionic acid","c1(S(=O)(=O)O)c2c(c(N)cc1)cccc2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["70-25-7","n-methyl-n'-nitro-n-nitrosoguanidine","C(=N)(N(C)N=O)NN(O)O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality, Conflict","NO","P&G","No","without S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> N-hydroxylamines|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2","Alkyl and aryl N-nitroso groups (Genotox)|Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> N-hydroxylamines|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","Alkyl and aryl N-nitroso groups|Hydrazine","Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor|Hydrazine"]
["6055-19-2","cyclophosphamide;cyclophosphamide hydrate;cyclophosphamide monohydrate;2h-1,3,2-oxazaphosphorin-2-amine, n,n-bis(2-chloroethyl)tetrahydro-, 2-oxide, monohydrate;n,n-bis(2-chloroethyl)tetrahydro-2h-1,3,2-oxazaphosphorin-2-amine, 2-oxide, monohydrate","C1CCNP(=O)(N(CCCl)CCCl)O1_O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kirkland et al.","No","No S9 info","Mutation Research 584 (2005) 1-256","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity",null,"No alert found|SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Nitrogen Mustards|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates","No alert found|SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> Mustards","S or N mustard (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found|SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates","S or N mustard","H-acceptor-path3-H-acceptor|S or N mustard"]
["*--7",null,"C(=O)(CCCCC(=O)OCC(CCCC)CC)OCC(CCCC)CC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","N/A","YES","Hansen K. et al.","No","No S9 info","J. Chem. Inf. Model., 2009, 49 (9), pp 2077–2081","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",2009,"No information for Salmonella thyphimurium strain and S9 metabolic activation",null,null,"No alert found","No alert found","Phtalate (or buthyl) diesters and monoesters (Nongenotox)|Structural alert for nongenotoxic carcinogenicity|Substituted n-alkylcarboxylic acids (Nongenotox)","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["*-3-2",null,"C12C(C)(C3C(C4C(C)(C5C(C)C6CCC(C)CN6C5C4)CC3)CC=1)CCC(OC1C(O)C(O)C(OC3C(OC4C(O)C(O)C(O)C(C)O4)C(O)C(O)C(C)O3)C(CO)O1)C2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","N/A","YES","Hansen K. et al.","No","No S9 info","J. Chem. Inf. Model., 2009, 49 (9), pp 2077–2081","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",2009,"No information for Salmonella thyphimurium strain and S9 metabolic activation",null,null,"No alert found","SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["*-4-6",null,"C(O)(CC)CN","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","N/A","YES","Hansen K. et al.","No","No S9 info","J. Chem. Inf. Model., 2009, 49 (9), pp 2077–2081","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",2009,"No information for Salmonella thyphimurium strain and S9 metabolic activation",null,null,"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["*-6-4",null,"C(=O)(C(c1ccccc1)C1CCCCN1)OC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","N/A","YES","Hansen K. et al.","No","No S9 info","J. Chem. Inf. Model., 2009, 49 (9), pp 2077–2081","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",2009,"No information for Salmonella thyphimurium strain and S9 metabolic activation",null,null,"No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["*-8-5",null,"c1(N)c2c(ncn1)N(CC(O)CN=N#N)=CN2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","N/A","YES","Hansen K. et al.","No","No S9 info","J. Chem. Inf. Model., 2009, 49 (9), pp 2077–2081","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",2009,"No information for Salmonella thyphimurium strain and S9 metabolic activation",null,null,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","No alert found","Azide and triazene groups (Genotox)|Imidazole, benzimidazole (Nongenotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity","No alert found","Azide and triazene groups|Primary aromatic amine,hydroxyl amine and its derived esters","Azide and triazene groups|H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters"]
["*-11-9","cyclohexanamine, 4,4'-methylenebis-, (trans(trans))-","C1(CC2CCC(N)CC2)CCC(N)CC1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","N/A","YES","Hansen K. et al.","No","No S9 info","J. Chem. Inf. Model., 2009, 49 (9), pp 2077–2081","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",2009,"No information for Salmonella thyphimurium strain and S9 metabolic activation",null,null,"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["*-14-2",null,"c1(Cl)ccc(CCC2CO2)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","N/A","YES","Hansen K. et al.","No","No S9 info","J. Chem. Inf. Model., 2009, 49 (9), pp 2077–2081","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",2009,"No information for Salmonella thyphimurium strain and S9 metabolic activation",null,null,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines","SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides","Epoxides and aziridines (Genotox)|Halogenated benzene (Nongenotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines","Epoxides and aziridines","Epoxides and aziridines"]
["*-16-3","aklavinon","c12C(=O)c3c(C(=O)c1c(O)c1c(C(C(=O)OC)C(O)(CC)CC1O)c2)c(O)ccc3","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","N/A","YES","Hansen K. et al.","No","No S9 info","J. Chem. Inf. Model., 2009, 49 (9), pp 2077–2081","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",2009,"No information for Salmonella thyphimurium strain and S9 metabolic activation",null,null,"Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones","No alert found","Quinones (Genotox)|Structural alert for genotoxic carcinogenicity","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones","Quinones","H-acceptor-path3-H-acceptor|Quinones"]
["*-19-5",null,"C(=O)(C1=C(C)N=C(C)C(=C(O)OC)C1c1cc(N(=O)=O)ccc1)OCC=Cc1ccccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","N/A","YES","Hansen K. et al.","No","No S9 info","J. Chem. Inf. Model., 2009, 49 (9), pp 2077–2081","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",2009,"No information for Salmonella thyphimurium strain and S9 metabolic activation",null,null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro","Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Nitro-aromatic","H-acceptor-path3-H-acceptor|Nitro-aromatic"]
["*-20-2",null,"C12C(CCCC1)O2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","N/A","YES","Hansen K. et al.","No","No S9 info","J. Chem. Inf. Model., 2009, 49 (9), pp 2077–2081","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",2009,"No information for Salmonella thyphimurium strain and S9 metabolic activation",null,null,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines","SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides","Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines","Epoxides and aziridines","Epoxides and aziridines"]
["*-22-7",null,"C(#C)C(c1cc(C)c(C)cc1)(c1ccccc1)OC(=O)NC1CCCCC1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","N/A","YES","Hansen K. et al.","No","No S9 info","J. Chem. Inf. Model., 2009, 49 (9), pp 2077–2081","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",2009,"No information for Salmonella thyphimurium strain and S9 metabolic activation",null,null,"No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes","Alkyl carbamate and thiocarbamate (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Alkyl carbamate and thiocarbamate","Alkyl carbamate and thiocarbamate|H-acceptor-path3-H-acceptor"]
["*139-75-6",null,"C(O)CN=N#N","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","N/A","NO","Hansen K. et al.","No","No S9 info","J. Chem. Inf. Model., 2009, 49 (9), pp 2077–2081","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",2009,"No information for Salmonella thyphimurium strain and S9 metabolic activation",null,null,"No alert found","No alert found","Azide and triazene groups (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Azide and triazene groups","Azide and triazene groups|H-acceptor-path3-H-acceptor"]
["506-85-4",null,"C12C(C)(C3C(C4C(C)(C5C(C)C6(CCC(C)CO6)OC5C4)CC3)CC=1)CCC(O)C2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Hansen K. et al.","No","No S9 info","J. Chem. Inf. Model., 2009, 49 (9), pp 2077–2081","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",2009,"No information for Salmonella thyphimurium strain and S9 metabolic activation",null,null,"No alert found","No alert found","No alert found","No alert found","No alert found","Oxolane"]
["*650-64-9","hydrastie","C1(=O)c2c(OC)c(OC)ccc2C(C2c3c(cc4c(c3)OCO4)CCN2C)O1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","N/A","YES","Hansen K. et al.","No","No S9 info","J. Chem. Inf. Model., 2009, 49 (9), pp 2077–2081","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",2009,"No information for Salmonella thyphimurium strain and S9 metabolic activation",null,null,"No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones|SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","1,3-Benzodioxoles (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["4261-16-9","9-benzyladenine 1-oxide","c1(N)c2c(N(Cc3ccccc3)C=N2)ncn1=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality, Conflict","NO","Hansen K. et al.","No","No S9 info","J. Chem. Inf. Model., 2009, 49 (9), pp 2077–2081","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",2009,"No information for Salmonella thyphimurium strain and S9 metabolic activation",null,null,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes","Aromatic ring N-oxide (Genotox)|Imidazole, benzimidazole (Nongenotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity","No alert found","Aromatic ring N-oxide|Primary aromatic amine,hydroxyl amine and its derived esters","Aromatic ring N-oxide|H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters"]
["7627-38-5",null,"c1(Cl)c(CCl)cnc(Cl)n1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Hansen K. et al.","No","No S9 info","J. Chem. Inf. Model., 2009, 49 (9), pp 2077–2081","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",2009,"No information for Salmonella thyphimurium strain and S9 metabolic activation",null,null,"Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups","SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides","Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity","Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups","Aliphatic halogens","Aliphatic halogen"]
["17376-04-4","benzene, (2-iodoethyl)-;iodoethyl benzene","c1(CCI)ccccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Hansen K. et al.","No","No S9 info","J. Chem. Inf. Model., 2009, 49 (9), pp 2077–2081","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",2009,"No information for Salmonella thyphimurium strain and S9 metabolic activation",null,null,"No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes|SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides","Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Aliphatic halogens","Aliphatic halogen"]
["39115-11-2","9,10-anthracenedione, 1-(beta-d-glucopyranosyloxy)-4-hydroxy-","c12C(=O)c3c(C(=O)c1c(O)ccc2OC1C(O)C(O)C(O)C(CO)O1)cccc3","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","N/A","YES","Hansen K. et al.","No","No S9 info","J. Chem. Inf. Model., 2009, 49 (9), pp 2077–2081","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",2009,"No information for Salmonella thyphimurium strain and S9 metabolic activation",null,null,"Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones","No alert found","Quinones (Genotox)|Structural alert for genotoxic carcinogenicity","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones","Quinones","H-acceptor-path3-H-acceptor|Quinones"]
["60223-52-1",null,"c12c(c3c(c4c5c(c6c(c14)ccc(OC)c6)cc(OC)cc5)ccc(OC)c3)cc(OC)cc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Hansen K. et al.","No","No S9 info","J. Chem. Inf. Model., 2009, 49 (9), pp 2077–2081","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",2009,"No information for Salmonella thyphimurium strain and S9 metabolic activation",null,null,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","No alert found","Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons"]
["64432-06-0","dulcoside a","C(=O)(C1(C)C2C(C)(C3C4(CC(=C)C(OC5C(OC6C(O)C(O)C(O)C(C)O6)C(O)C(O)C(CO)O5)(CC3)C4)CC2)CCC1)OC1C(O)C(O)C(O)C(CO)O1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Hansen K. et al.","No","No S9 info","J. Chem. Inf. Model., 2009, 49 (9), pp 2077–2081","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",2009,"No information for Salmonella thyphimurium strain and S9 metabolic activation",null,null,"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["79642-33-4","8-ethoxycarbonylamino-3-carboline","c12-c3c(c(NC(=O)OCC)ccc3)Nc1ccnc2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Hansen K. et al.","No","No S9 info","J. Chem. Inf. Model., 2009, 49 (9), pp 2077–2081","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",2009,"No information for Salmonella thyphimurium strain and S9 metabolic activation",null,null,"No alert found","No alert found","Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Heterocyclic Polycyclic Aromatic Hydrocarbons","H-acceptor-path3-H-acceptor|Heterocyclic Polycyclic Aromatic Hydrocarbons"]
["88652-48-6","1,3-butanediol with ethanediol montanate","C(=O)(CCCCCCCCCCCCCCCCCCCCCCCCCCC)OCCC(C)O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Hansen K. et al.","No","No S9 info","J. Chem. Inf. Model., 2009, 49 (9), pp 2077–2081","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",2009,"No information for Salmonella thyphimurium strain and S9 metabolic activation",null,null,"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["104527-49-3","1-aza-2,8-(5-nitrofurfuryl)-5-hydroxymethyl-3,7-dioxabicyclo(3,3,0)-octane","c1(C2N3C(CO)(COC3c3ccc(N(=O)=O)cc3)CO2)ccc(N(=O)=O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Hansen K. et al.","No","No S9 info","J. Chem. Inf. Model., 2009, 49 (9), pp 2077–2081","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",2009,"No information for Salmonella thyphimurium strain and S9 metabolic activation",null,null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro","Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Nitro-aromatic","H-acceptor-path3-H-acceptor|Nitro-aromatic"]
["118995-84-9","t-butyl-s-carbamoylglutathione","C(=O)(O)C(N)CCC(=O)NC(C(=O)NCC(=O)O)CSC(=O)NC(C)(C)C","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Hansen K. et al.","No","No S9 info","J. Chem. Inf. Model., 2009, 49 (9), pp 2077–2081","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",2009,"No information for Salmonella thyphimurium strain and S9 metabolic activation",null,null,"No alert found","No alert found","Alkyl carbamate and thiocarbamate (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Alkyl carbamate and thiocarbamate","Alkyl carbamate and thiocarbamate|H-acceptor-path3-H-acceptor"]
["133762-83-1","6-chloropurin-9-yl","c1(Cl)c2c(N(CC(O)CN=N#N)C=N2)ncn1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Hansen K. et al.","No","No S9 info","J. Chem. Inf. Model., 2009, 49 (9), pp 2077–2081","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",2009,"No information for Salmonella thyphimurium strain and S9 metabolic activation",null,null,"No alert found","No alert found","Azide and triazene groups (Genotox)|Imidazole, benzimidazole (Nongenotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity","No alert found","Azide and triazene groups","Azide and triazene groups|H-acceptor-path3-H-acceptor"]
["143922-98-9",null,"C(C)(=O)c1c(C)c(N(=O)=Nc2c(C)c(C(C)=O)ccc2)ccc1N","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality, Conflict","NO","Hansen K. et al.","No","No S9 info","J. Chem. Inf. Model., 2009, 49 (9), pp 2077–2081","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",2009,"No information for Salmonella thyphimurium strain and S9 metabolic activation",null,null,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic azo|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","Primary aromatic amine,hydroxyl amine and its derived esters","H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters"]
["173106-65-5","3-[[(11-carboxyundecyl)amino]carbonyl]-2,2,5,5-teramethyl-1-pyrrolidinyloxy;3-(((11-carboxyundecyl)amino)carbonyl)-2,2,5,5-tetramethyl-1-pyrrolidinyloxy","C(=O)(C1C(C)(C)N(O)C(C)(C)C1)NCCCCCCCCCCCC(=O)O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Hansen K. et al.","No","No S9 info","J. Chem. Inf. Model., 2009, 49 (9), pp 2077–2081","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",2009,"No information for Salmonella thyphimurium strain and S9 metabolic activation",null,null,"SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> N-hydroxylamines","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["188699-57-2",null,"c12c(c(CBr)ccc1)nc(OC)c(OC)n2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","Hansen K. et al.","No","No S9 info","J. Chem. Inf. Model., 2009, 49 (9), pp 2077–2081","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",2009,"No information for Salmonella thyphimurium strain and S9 metabolic activation",null,null,"Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups","SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides","Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity","Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups","Aliphatic halogens","Aliphatic halogen|H-acceptor-path3-H-acceptor"]
["72-57-1","trypan blue;2,7-naphthalenedisulfonic acid, 3,3’-[(3,3’-dimethyl[1,1’-biphenyl]-4,4’-diyl)bis(azo)]bis[5-amino-4-hydroxy-, tetrasodium salt","c1(-c2cc(C)c(N=Nc3c(O)c4c(N)cc(S(=O)(=O)O)cc4cc3S(=O)(=O)O)cc2)cc(C)c(N=Nc2c(O)c3c(N)cc(S(=O)(=O)O)cc3cc2S(=O)(=O)O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality, Conflict","NO","Kirkland et al.","No","No S9 info","Mutation Research 584 (2005) 1-256","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",2005,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Evaluation of the ability of a battery of three in vitro genotoxicity tests to discriminate rodent carcinogens and non-carcinogens: I. Sensitivity, specificity and relative predictivity",null,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["132-27-4","o-phenylphenate sodium;[1,1’-biphenyl]-2-ol, sodium salt;sodium biphenyl-2-olate","c1(-c2c(O)cccc2)ccccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality, Conflict","NO","P&G","No","without S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","No alert found","o-phenylphenol (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","No alert found"]
["320-67-2","5-azacytidine;2-(?-d-ribofuranosyl)-4-amino-1,3,5-triazin-2-one;s-triazin-2(1h)-one, 4-amino-1-beta-d-ribofuranosyl- (8ci)","C1(=O)N(C2C(O)C(O)C(CO)O2)C=NC(=N)N1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","National Cancer Institute","No","with S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,null,"Short-Term Testing Program in the National Cancer Institute (NCI), National Institutes of Health, US Department of Health and Human Services","Source of metabolic system - rat","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Specific Imine and Thione Derivatives|SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives|SN2|SN2 >> Diazonium ion formation|SN2 >> Diazonium ion formation >> Specific Imine and Thione Derivatives","SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","No alert found","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Specific Imine and Thione Derivatives|SN2|SN2 >> Diazonium ion formation|SN2 >> Diazonium ion formation >> Specific Imine and Thione Derivatives","No alert found","H-acceptor-path3-H-acceptor|Oxolane"]
["1315-04-4","antimony pentasulfide","S=[Sb](=S)S{-}.[Sb]{+}(=S)=S","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality, Conflict","NO","National Cancer Institute","No","with S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,null,"Short-Term Testing Program in the National Cancer Institute (NCI), National Institutes of Health, US Department of Health and Human Services","Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["2602-46-2","c.i. direct blue 6","[Na]{+}_c1(-c2ccc(N=Nc3c(O)c4c(N)cc(S(=O)(=O)O{-}.[Na]{+})cc4cc3S(=O)(=O)O{-}.[Na]{+})cc2)ccc(N=Nc2c(O)c3c(N)cc(S(=O)(=O)O)cc3cc2S(=O)(=O)O{-}.[Na]{+})cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","N/A","YES","P&G","No","with S9",null,"TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","No alert found|SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor|No alert found"]
["5141-20-8","c.i. acid green 5","[Na]_c12C(c3ccc(N(Cc4cc(S(=O)(=O)O{-}.[Na]{+})ccc4)CC)cc3)=C3C=CC(C=C3)=N{+}(Cc3cc(S(=O)(=O)O{-})ccc3)(CC).O{-}S(=O)(=O)c(cc1)cc2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality, Conflict","NO","National Cancer Institute","No","without S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,null,"Short-Term Testing Program in the National Cancer Institute (NCI), National Institutes of Health, US Department of Health and Human Services",null,"No alert found","No alert found|SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["7782-63-0","iron(ii) sulfate (1:1);iron sulfate heptahydrate","O=S1(=O)O{-}.[Fe]{2+}.O{-}1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality, Conflict","NO","National Cancer Institute","No","with S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,null,"Short-Term Testing Program in the National Cancer Institute (NCI), National Institutes of Health, US Department of Health and Human Services","Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["29385-43-1","1h-benzotriazole, 4(or 5)-methyl-;1h-benzotriazole, 6(or 7)-methyl-;1-methyl-1h-benzotriazole;methyl-1h-benzotriazole;1h-benzotriazole, methyl-","c12c(cccc1)N(C)N=N2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality, Conflict","NO","National Cancer Institute","No","without S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,null,"Short-Term Testing Program in the National Cancer Institute (NCI), National Institutes of Health, US Department of Health and Human Services",null,"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["135812-34-9","nsc 629243","C(=O)(c1c(Cl)ccc(NC(=S)OC(C)C)c1)OC(C)C","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","National Cancer Institute","No","with S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,null,"Short-Term Testing Program in the National Cancer Institute (NCI), National Institutes of Health, US Department of Health and Human Services","Source of metabolic system - rat","No alert found","No alert found","Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["6285-57-0","2-amino-6-nitrobenzothiazole;6-nitrobenzothiazol-2-amine;2-benzothiazolamine, 6-nitro-","c12c(cc(N(=O)=O)cc1)SC(=N)N2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro","Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","Nitro-aromatic","Nitro-aromatic"]
["5412-25-9","bis(2,3-dibromopropyl)magnesium phosphate;bis(2,3-dibromopropyl) hydrogen phosphate;1-propanol, 2,3-dibromo-, hydrogen phosphate;1-propanol, 2,3-dibromo-, hydrogen phosphate (ester)","C(Br)(COP(=O)(O)OCC(Br)CBr)CBr","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"SN2|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation >> Vicinal Dihaloalkanes|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates","SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> 1,2-Dihaloalkanes","No alert found","SN2|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation >> Vicinal Dihaloalkanes|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates","No alert found","H-acceptor-path3-H-acceptor"]
["132-20-7","pheniramine maleate;2-pyridinepropanamine, n,n-dimethyl-?-phenyl-, (z)-2-butenedioate (1:1)","c1(C(c2ccccc2)CCN(C)C)ccccn1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality, Conflict","NO","P&G","No","with S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes|SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","No alert found","No alert found","No alert found","No alert found"]
["132-20-7","pheniramine maleate;2-pyridinepropanamine, n,n-dimethyl-?-phenyl-, (z)-2-butenedioate (1:1)","c1(C(c2ccccc2)CCN(C)C)ccccn1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality, Conflict","NO","P&G","No","without S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes|SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","No alert found","No alert found","No alert found","No alert found"]
["367-51-1","thioglycolate sodium salt;acetic acid, mercapto-, monosodium salt","C(=O)(O)CS","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality, Conflict","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"Radical|Radical >> Generation of reactive oxygen species|Radical >> Generation of reactive oxygen species >> Thiols","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["593-56-6","o-methyl hydroxylamine;hydroxylamine, o-methyl-, hydrochloride","CON","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality, Conflict","NO","P&G","No","with S9",null,"TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["958-93-0","thenyldiamine hydrochloride;thenyldiamine hcl","C1(CN(c2ccccn2)CCN(C)C)C=CSC=1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality, Conflict","NO","P&G","No","without S9",null,"TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","Michael addition|Michael addition >> P450 Mediated Activation of Heterocyclic Ring Systems|Michael addition >> P450 Mediated Activation of Heterocyclic Ring Systems >> Thiophenes-Michael addition|SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine|SN2|SN2 >> P450 Mediated Epoxidation|SN2 >> P450 Mediated Epoxidation >> Thiophenes-SN2","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["1229-35-2","methdilazine hydrochloride","c12c(cccc1)N(CC1CCN(C)C1)c1c(cccc1)S2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality, Conflict","NO","P&G","No","with S9",null,"TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","No alert found","No alert found","No alert found","No alert found"]
["1326-03-0","c.i. pigment violet 1","C(=O)(O)c1c(-c2c3c(cc(N(CC)CC)cc3)o{+}c3c2ccc(N(CC)CC)c3)cccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality, Conflict","NO","P&G","No","without S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine","Aromatic mono-and dialkylamine (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Aromatic mono-and dialkylamine","Aromatic mono- and dialkylamine|H-acceptor-path3-H-acceptor"]
["1455-77-2","guanazole;1h-1,2,4-triazole-3,5-diamine;guanazole (van) (8ci)","C1(N)=NN=C(N)N1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary (unsaturated) heterocyclic amine","Hydrazine (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Hydrazine|Primary aromatic amine,hydroxyl amine and its derived esters","H-acceptor-path3-H-acceptor|Hydrazine|Primary aromatic amine, hydroxyl amine and its derived esters"]
["2893-78-9","sodium dichlorocyanurate;1,3,5-triazine-2,4,6(1h,3h,5h)-trione, 1,3-dichloro-, sodium salt","C1(=O)N(Cl)C(=O)N(Cl)C(=O)N1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality, Conflict","NO","P&G","No","without S9",null,"TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["10277-43-7","lanthanum(iii) nitrate, hexahydrate (1:3:6)","N(=O)(=O)O{-}.[La]{3+}(.O{-}N(=O)=O).O{-}N(=O)=O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality, Conflict","NO","P&G","No","without S9",null,"TA 97","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["12224-98-5","c.i. pigment red 81;xanthylium, 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethyl-, molybdatetungstatephosphate;xanthylium, 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethyl-, molybdate tungstate phosphate","C(=O)(c1c(-c2c3c(cc(NCC)c(C)c3)o{+}(.O{-}[Mo](=O)=O)c3c2cc(C)c(NCC)c3)cccc1)OCC_C(=O)(c1c(-c2c3c(cc(NCC)c(C)c3)o{+}(.O{-}P(=O)(OO[W](=O)(=O)O)O{-}.o{+}3c4c(c(-c5c(C(=O)OCC)cccc5)c5c3cc(NCC)c(C)c5)cc(C)c(NCC)c4)c3c2cc(C)c(NCC)c3)cccc1)OCC_C(=O)(c1c(-c2c3c(cc(NCC)c(C)c3)o{+}c3c2cc(C)c(NCC)c3)cccc1)OCC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Secondary aromatic amine","Aromatic mono-and dialkylamine (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Aromatic mono-and dialkylamine","Aromatic mono- and dialkylamine|H-acceptor-path3-H-acceptor"]
["17341-40-1","1,1-dimethyl-1-(2-hydroxypropylamine)methacrylimide;1,1-dimethyl-1-(2-hydroxpropylamine)methacrylimide;hydrazinium, 1-(2-hydroxypropyl)-1,1-dimethyl-2-(2-methyl-1-oxo-2-propenyl)-, inner salt","C(=O)(C(=C)C)N{-}N{+}(C)(C)CC(C)O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","No alert found","alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","alpha,beta-unsaturated carbonyls","alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor"]
["36355-01-8","hexabromobiphenyl","c1(N(=O)=O)c(OP(=S)(NC(C)CC)OCC)cc(C)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality, Conflict","NO","P&G","No","without S9",null,"TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro","Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates","Nitro-aromatic","H-acceptor-path3-H-acceptor|Nitro-aromatic"]
["74518-99-3","trans-4'-tert-butyl-4-aminostilbene;benzenamine, 4-[2-[4-(1,1-dimethylethyl)phenyl]ethenyl]-, (e)-","C(C)(C)(C)c1ccc(C=Cc2ccc(N)cc2)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","P&G","No","without S9",null,"TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Primary aromatic amine,hydroxyl amine and its derived esters","Primary aromatic amine, hydroxyl amine and its derived esters"]
["553-30-0","proflavine sulfate;3,6-acridinediamine, sulfate (1:1)","c12c(cc3c(cc(N)cc3)n1)ccc(N)c2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality, Conflict","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition|SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","Heterocyclic Polycyclic Aromatic Hydrocarbons|Primary aromatic amine,hydroxyl amine and its derived esters","Heterocyclic Polycyclic Aromatic Hydrocarbons|Primary aromatic amine, hydroxyl amine and its derived esters"]
["3626-28-6","c.i. direct green 1;disodium 4-amino-5-hydroxy-3-[[4'-[(4-hydroxyphenyl)azo][1,1'-biphenyl]-4-yl]azo]-6-(phenylazo)naphthalene-2,7-disulphonate;2,7-naphthalenedisulfonic acid, 4-amino-5-hydroxy-3-[[4'-[(4-hydroxyphenyl)azo][1,1'-biphenyl]-4-yl]azo]-6-(phenylazo)-, disodium salt;disodium 4-amino-5-hydroxy-3-({4'-[(4-hydroxyphenyl)diazenyl]biphenyl-4-yl}diazenyl)-6-(phenyldiazenyl)naphthalene-2,7-disulfonate","[Na]{+}_c1(-c2ccc(N=Nc3c(N)c4c(O)c(N=Nc5ccccc5)c(S(=O)(=O)O)cc4cc3S(=O)(=O)O{-}.[Na]{+})cc2)ccc(N=Nc2ccc(O)cc2)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","N/A","YES","P&G","No","with S9",null,"TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","No alert found|SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic azo","Aromatic diazo (Genotox)|No alert found|Structural alert for genotoxic carcinogenicity","No alert found","Aromatic diazo|No alert found","Aromatic diazo|H-acceptor-path3-H-acceptor|No alert found"]
["69884-05-5","2h-1,4-benzoxazin-3(4h)-one,4-hydroxy-7-methoxy","c12c(cc(OC)cc1)OCC(=O)N2O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","P&G","No","with S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> N-hydroxylamines","No alert found","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Primary aromatic amine,hydroxyl amine and its derived esters","1,3-dialkoxy-benzene|H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters"]
["279242-10-3","1,1'-biphenyl, 4-(1-methylethyl)-4'-nitro-","c1(-c2ccc(C(C)C)cc2)ccc(N(=O)=O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","P&G","No","with S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro","Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","Nitro-aromatic","Nitro-aromatic"]
["27208-37-3","cyclopenta(c,d)pyrene","c12c3c4c5c(cc3ccc1)CCc5ccc4cc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality, Conflict","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","No alert found","Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons"]
["343-94-2","tryptamine hydrochloride;1h-indole-3-ethanamine, monohydrochloride;2-(indol-3-yl)ethylamine hydrochloride;2-(1h-indol-3-yl)ethanamine hydrochloride","C1(CCN)c2c(cccc2)NC=1_Cl","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["820-75-7","n-diazoacetylglycine hydrazide","C(=O)(C=N#N)NCC(=O)NN","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality, Conflict","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"Nucleophilic addition|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization >> Hydrazine Derivatives|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Hydrazine Derivatives|SN2|SN2 >> Carbenium Ion Formation|SN2 >> Carbenium Ion Formation >> Diazoalkanes","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Diazoalkanes|SN1 >> Carbenium Ion Formation >> Hydrazine","Aliphatic azo and azoxy (Genotox)|Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity","Nucleophilic addition|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization >> Hydrazine Derivatives|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Hydrazine Derivatives|SN2|SN2 >> Carbenium Ion Formation|SN2 >> Carbenium Ion Formation >> Diazoalkanes","Aliphatic azo and azoxy|Hydrazine","Aliphatic azo and azoxy|H-acceptor-path3-H-acceptor|Hydrazine"]
["2243-78-9","benzidine, 2-nitro-;2243-78-9","c1(-c2c(N(=O)=O)cc(N)cc2)ccc(N)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality, Conflict","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN1 >> Nitrenium ion formation >> Nitro Compounds","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Nitro-aromatic (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","Nitro-aromatic|Primary aromatic amine,hydroxyl amine and its derived esters","Nitro-aromatic|Primary aromatic amine, hydroxyl amine and its derived esters"]
["6112-76-1","mercaptopurine","C1(=S)C2=C(N=CN2)N=CN1_O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality, Conflict","NO","P&G","No","without S9",null,"TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Specific Imine and Thione Derivatives|SN2|SN2 >> Diazonium ion formation|SN2 >> Diazonium ion formation >> Specific Imine and Thione Derivatives","No alert found","Imidazole, benzimidazole (Nongenotox)|Structural alert for nongenotoxic carcinogenicity|Thiocarbonyl (Nongenotox)","No alert found|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Specific Imine and Thione Derivatives|SN2|SN2 >> Diazonium ion formation|SN2 >> Diazonium ion formation >> Specific Imine and Thione Derivatives","No alert found","H-acceptor-path3-H-acceptor"]
["7745-89-3","3-chloro-p-toluidine hydrochloride;benzenamine, 3-chloro-4-methyl-, hydrochloride;benzenamine, 3-chloro-4-methyl-, hydrochloride (9ci)","c1(C)c(Cl)cc(N)cc1_Cl","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality, Conflict","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"No alert found|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","No alert found|SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Primary aromatic amine,hydroxyl amine and its derived esters","Primary aromatic amine, hydroxyl amine and its derived esters"]
["18559-59-6","tretoquinol;(s)-1,2,3,4-tetrahydro-6,7-dihydroxy-1-(3,4,5-trimethoxybenzyl)isoquinolinium chloride","c1(OC)c(OC)c(OC)cc(CC2c3c(cc(O)c(O)c3)CCN2)c1_Cl","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","N/A","YES","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Alkyl phenols|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones|No alert found","No alert found","No alert found","No alert found","1,3-dialkoxy-benzene|H-acceptor-path3-H-acceptor|No alert found"]
["21416-67-1","razoxane","C1(=O)CN(CCCN2CC(=O)NC(=O)C2)CC(=O)N1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality, Conflict","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","No alert found","SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["32828-84-5","phenalen-2-amine, 2,3-dihydro-n,n-dimethyl-, hydrochloride","c12c3c(cccc3ccc1)CC(N(C)C)C2_Cl","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality, Conflict","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"No alert found","No alert found|SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","No alert found","No alert found","No alert found","No alert found"]
["39013-93-9","1,3-propanediamine, n'-benzo(b)(1,10)phenanthrolin-7-yl-n-(2-chloroethyl)-n-ethyl-, dihydrochloride","c12c(c3c(c(NCCCN(CCCl)CC)c4c(cccc4)n3)cc1)nccc2_Cl_Cl","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality, Conflict","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"No alert found|SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Nitrogen Mustards","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition|No alert found|SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines|SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> Mustards","Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found|SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Nitrogen Mustards","Heterocyclic Polycyclic Aromatic Hydrocarbons","H-acceptor-path3-H-acceptor|Heterocyclic Polycyclic Aromatic Hydrocarbons"]
["83435-67-0","delapril hydrochloride","c12c(cccc1)CC(N(C(=O)C(C)NC(C(=O)OCC)CCc1ccccc1)CC(=O)O)C2_Cl","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","N/A","YES","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes|No alert found|SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor|No alert found"]
["129927-37-3","rcc 36","C(=O)(C(O)(c1ccccc1)C1CCCCC1)OC(C)(C)C#CCNCC_Cl","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality, Conflict","NO","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes|No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["139953-78-9","benzoic acid, 4-(((4,5-dihydro-4-oxo-3h-1,2,3-triazino(5,4-b)indol-3-yl)imino)methyl)-, methyl ester","C12c3c(cccc3)NC=1C(=O)N(N=Cc1ccc(C(=O)OC)cc1)N=N2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","N/A","YES","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["2315-20-0","guanidine, ((3-(5-nitro-2-furyl)-1-(2-(5-nitro-2-furyl)vinyl)allylidene)amino)-, hydrochloride;3-[3-(5-nitro-2-furyl)-1-[2-(5-nitro-2-furyl)vinyl]allylidene]carbazamidine monohydrochloride;hydrazinecarboximidamide, 2-[3-(5-nitro-2-furanyl)-1-[2-(5-nitro-2-furanyl)ethenyl]-2-propenylidene]-, monohydrochloride","C1(C=CC(C=CC2=CC=C(N(=O)=O)O2)=NNC(=N)N)=CC=C(N(=O)=O)O1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Unsaturated heterocyclic nitro","Hydrazine (Genotox)|Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","Hydrazine|Nitro-aromatic","H-acceptor-path3-H-acceptor|Hydrazine|Nitro-aromatic"]
["4803-27-4","anthramycin [usan];2-propenamide, 3-(5,10,11,11a-tetrahydro-9,11-dihydroxy-8-methyl-5-oxo-1h-pyrrolo(2,1-c)(1,4)benzodiazepin-2-yl)-, (e)-","C1(=O)c2c(c(O)c(C)cc2)NC(O)C2CC(C=CC(N)=O)=CN12","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Alkyl phenols|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated amides|SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","alpha,beta-unsaturated carbonyls","alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor"]
["6327-93-1","beta-d-glucopyranoside, (methyl-onn-azoxy)methyl-o-beta-d-xylopyranosyl-","C1(OCN=N(C)=O)C(O)C(O)C(O)C(COC2C(O)C(O)C(O)CO2)O1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","No alert found","No alert found","Aliphatic azo and azoxy (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Aliphatic azo and azoxy","Aliphatic azo and azoxy|H-acceptor-path3-H-acceptor"]
["8065-48-3",null,"C(COP(=S)(OCC)OCC)SCC_C(CSCC)SP(=O)(OCC)OCC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality, Conflict","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates","No alert found","Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid (Genotox)|Structural alert for genotoxic carcinogenicity","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates","Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid","Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid|H-acceptor-path3-H-acceptor"]
["17573-21-6","9-hydroxybenzo(a)pyrene","c12c3c4c(c5c(cc4ccc3ccc1)ccc(O)c5)cc2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition","Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons"]
["23313-21-5","glucopyranoside, 3,8-dihydroxy-6-methyl-1-anthraquinonyl-, beta-d-","c12C(=O)c3c(C(=O)c1c(O)cc(C)c2)c(OC1C(O)C(O)C(O)C(CO)O1)cc(O)c3","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones","No alert found","Quinones (Genotox)|Structural alert for genotoxic carcinogenicity","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones","Quinones","H-acceptor-path3-H-acceptor|Quinones"]
["31297-82-2","9,10-anthracenedione, 2-(beta-d-glucopyranosyloxy)-1-hydroxy","c12C(=O)c3c(C(=O)c1c(O)c(OC1C(O)C(O)C(O)C(O)O1)cc2)cccc3","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones","No alert found","Quinones (Genotox)|Structural alert for genotoxic carcinogenicity","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones","Quinones","H-acceptor-path3-H-acceptor|Quinones"]
["36504-65-1","benzo(a)pyrene 7,8-oxide","c12c3c4c(c5c(C6C(C=C5)O6)cc4ccc3ccc1)cc2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides","Epoxides and aziridines (Genotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","Epoxides and aziridines|Polycyclic Aromatic Hydrocarbons","Epoxides and aziridines|Polycyclic Aromatic Hydrocarbons"]
["36504-68-4","9,10-epoxy-7,8,9,10-tetrahydrobenzo(a)pyrene;benzo(a)pyrene, 9,10-epoxy-7,8,9,10-tetrahydro-","c12c3c4c(c5c(cc4ccc3ccc1)CCC1C5O1)cc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides","Epoxides and aziridines (Genotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","Epoxides and aziridines|Polycyclic Aromatic Hydrocarbons","Epoxides and aziridines|Polycyclic Aromatic Hydrocarbons"]
["42522-72-5","spiro(3h-2,1-benzoxathiole-3,9'-(9h)xanthene)-3',6'-diol, 2',4',5',7'-tetrabromo-, 1,1-dioxide","c12C3(c4c(c(Br)c(O)c(Br)c4)Oc4c(Br)c(O)c(Br)cc34)OS(=O)(=O)c1cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Sulfonates and Sulfates","No alert found","No alert found","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Sulfonates and Sulfates","No alert found","1-phenoxy-benzene|H-acceptor-path3-H-acceptor"]
["53737-95-4","3a,8a-dihydrofuro(2,3-b)benzofuran;furo(2,3-b)benzofuran, 3a,8a-dihydro-","c12c(C3C=COC3O1)cccc2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["57074-51-8","hymenovin;furo(2',3':5,6)cyclohepta(1,2-c)pyran-2(3h)-one, decahydro-5,7-dihydroxy-4a,9-dimethyl-3-methylene-","C1(=O)C(=C)C2C(CC(C)C3C(C)(C(O)OC(O)C3)C2)O1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","Michael addition|Michael addition >> alpha, beta-unsaturated carabonyl compounds|Michael addition >> alpha, beta-unsaturated carabonyl compounds >> Four- and Five-Membered Lactones|SN2|SN2 >> Ring opening SN2 reaction|SN2 >> Ring opening SN2 reaction >> Four- and Five-Membered Lactones","No alert found","No alert found","Michael addition|Michael addition >> alpha, beta-unsaturated carabonyl compounds|Michael addition >> alpha, beta-unsaturated carabonyl compounds >> Four- and Five-Membered Lactones|SN2|SN2 >> Ring opening SN2 reaction|SN2 >> Ring opening SN2 reaction >> Four- and Five-Membered Lactones","No alert found","H-acceptor-path3-H-acceptor|Oxolane"]
["60448-19-3","benzo(a)pyrene 11,12-oxide;benzo(a)pyrene-11,12-oxide","c12c(c3c4c5c(C6C3O6)cccc5ccc4c1)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition|SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides","Epoxides and aziridines (Genotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","Epoxides and aziridines|Polycyclic Aromatic Hydrocarbons","Epoxides and aziridines|Polycyclic Aromatic Hydrocarbons"]
["61785-70-4","benzofurazan, 4-nitro-7-(4-phenyl-1-piperazinyl)-, 1-oxide","C1(N(=O)=O)C2C(C(N3CCN(c4ccccc4)CC3)=CC=1)=N(=O)ON=2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - mouse","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine","No alert found","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","No alert found","H-acceptor-path3-H-acceptor"]
["63323-29-5","benzo(a)pyrene, 7-alpha,8-beta-dihydroxy-9-alpha,10-alpha-epoxy-7,8,9,10-tetrahydro-, (+)-cis-","c12c3c4c(c5c(C(O)C(O)C6C5O6)cc4ccc3ccc1)cc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides","Epoxides and aziridines (Genotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","Epoxides and aziridines|Polycyclic Aromatic Hydrocarbons","Epoxides and aziridines|H-acceptor-path3-H-acceptor|Polycyclic Aromatic Hydrocarbons"]
["66842-41-9","chrysene, 6-(epoxyethyl)-","c12c(c3c(c4c(c(C5CO5)c3)cccc4)cc1)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1|SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides","Epoxides and aziridines (Genotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","Epoxides and aziridines|Polycyclic Aromatic Hydrocarbons","Epoxides and aziridines|Polycyclic Aromatic Hydrocarbons"]
["1129-52-8","2,4,6-tris(chloromethyl)-1,3,5-trioxane;1,3,5-trioxane, 2,4,6-tris(chloromethyl)-","C1(CCl)OC(CCl)OC(CCl)O1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Heteroatom","SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides","Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Aliphatic halogens","Aliphatic halogen"]
["55936-77-1","benzenamine, n-(acetyloxy)-n-methyl-4-(phenylazo)- (9ci)","c1(N=Nc2ccccc2)ccc(N(C)OC(C)=O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"SN2|SN2 >> SN2 at Nitrogen Atom|SN2 >> SN2 at Nitrogen Atom >> N-acetoxyamines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic azo","Aromatic diazo (Genotox)|Structural alert for genotoxic carcinogenicity","SN2|SN2 >> SN2 at Nitrogen Atom|SN2 >> SN2 at Nitrogen Atom >> N-acetoxyamines","Aromatic diazo","Aromatic diazo|H-acceptor-path3-H-acceptor"]
["61785-84-0","benzofurazan, 7-(4-benzyl-1-piperazinyl)-4-nitro-, 1-oxide","C1(N(=O)=O)C2C(C(N3CCN(Cc4ccccc4)CC3)=CC=1)=N(=O)ON=2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes|SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","No alert found","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","No alert found","H-acceptor-path3-H-acceptor"]
["475-54-7","(bi-1,4-cyclohexadien-1-yl)-3,3',6,6'-tetrone, 2,2',5,5'-tetrahydroxy-4,4'-dimethyl-;2,2',5,5'-tetrahydroxy-4,4'-dimethyl-[bi-1,4-cyclohexadien-1-yl]-3,3',6,6'-tetrone","C1(O)C(=O)C(C2C(=O)C(O)=C(C)C(=O)C=2O)=C(O)C(=O)C=1C","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones","No alert found","Quinones (Genotox)|Structural alert for genotoxic carcinogenicity","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones","Quinones","H-acceptor-path3-H-acceptor|Quinones"]
["12771-72-1","verruculogen","C12c3c(cc(OC)cc3)N3C=1C(CC(C)(C)OOC3C=C(C)C)N1C(O)(C(=O)N3C(C1=O)CCC3)C2O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Organic Peroxy Compounds","SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["12771-72-1","verruculogen","C12c3c(cc(OC)cc3)N3C=1C(CC(C)(C)OOC3C=C(C)C)N1C(O)(C(=O)N3C(C1=O)CCC3)C2O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Organic Peroxy Compounds","SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["13256-32-1","urea, 1,3-dimethyl-1-nitroso-;n,n'-dimethyl-n-nitrosourea;urea, n,n'-dimethyl-n-nitroso- (9ci);13256-32-1","C(=O)(N(C)N=O)NC","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2","Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives","Alkyl and aryl N-nitroso groups","Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor"]
["25413-74-5","1-butanol, 4,4'-nitrosiminodi-","C(O)CCCN(CCCCO)N=O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2","Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","Alkyl and aryl N-nitroso groups","Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor"]
["25413-74-5","1-butanol, 4,4'-nitrosiminodi-","C(O)CCCN(CCCCO)N=O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2","Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","Alkyl and aryl N-nitroso groups","Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor"]
["33904-55-1","ornithine, n(sup 5)-carbamoyl-n(sup 5)-nitroso-, dl-","C(=O)(O)C(N)CCCN(C(N)=O)N=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2","Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives","Alkyl and aryl N-nitroso groups","Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor"]
["35483-50-2","viriditoxin;(8,8'-bi-1h-naphtho(2,3-c)pyran)-3,3'-diacetic acid, 3,3',4,4'-tetrahydro- 9,9',10,10'-tetrahydroxy-7,7'-dimethoxy-1,1'-dioxo-, dimethyl ester","C1(=O)c2c(O)c3c(O)c(-c4c(O)c5c(O)c6C(=O)OC(CC(=O)OC)Cc6cc5cc4OC)c(OC)cc3cc2CC(CC(=O)OC)O1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"No alert found","No alert found","o-phenylphenol (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["35483-50-2","viriditoxin;(8,8'-bi-1h-naphtho(2,3-c)pyran)-3,3'-diacetic acid, 3,3',4,4'-tetrahydro- 9,9',10,10'-tetrahydroxy-7,7'-dimethoxy-1,1'-dioxo-, dimethyl ester","C1(=O)c2c(O)c3c(O)c(-c4c(O)c5c(O)c6C(=O)OC(CC(=O)OC)Cc6cc5cc4OC)c(OC)cc3cc2CC(CC(=O)OC)O1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"No alert found","No alert found","o-phenylphenol (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["35483-50-2","viriditoxin;(8,8'-bi-1h-naphtho(2,3-c)pyran)-3,3'-diacetic acid, 3,3',4,4'-tetrahydro- 9,9',10,10'-tetrahydroxy-7,7'-dimethoxy-1,1'-dioxo-, dimethyl ester","C1(=O)c2c(O)c3c(O)c(-c4c(O)c5c(O)c6C(=O)OC(CC(=O)OC)Cc6cc5cc4OC)c(OC)cc3cc2CC(CC(=O)OC)O1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"No alert found","No alert found","o-phenylphenol (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["35483-50-2","viriditoxin;(8,8'-bi-1h-naphtho(2,3-c)pyran)-3,3'-diacetic acid, 3,3',4,4'-tetrahydro- 9,9',10,10'-tetrahydroxy-7,7'-dimethoxy-1,1'-dioxo-, dimethyl ester","C1(=O)c2c(O)c3c(O)c(-c4c(O)c5c(O)c6C(=O)OC(CC(=O)OC)Cc6cc5cc4OC)c(OC)cc3cc2CC(CC(=O)OC)O1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","No alert found","No alert found","o-phenylphenol (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["35483-50-2","viriditoxin;(8,8'-bi-1h-naphtho(2,3-c)pyran)-3,3'-diacetic acid, 3,3',4,4'-tetrahydro- 9,9',10,10'-tetrahydroxy-7,7'-dimethoxy-1,1'-dioxo-, dimethyl ester","C1(=O)c2c(O)c3c(O)c(-c4c(O)c5c(O)c6C(=O)OC(CC(=O)OC)Cc6cc5cc4OC)c(OC)cc3cc2CC(CC(=O)OC)O1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","No alert found","No alert found","o-phenylphenol (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["35483-50-2","viriditoxin;(8,8'-bi-1h-naphtho(2,3-c)pyran)-3,3'-diacetic acid, 3,3',4,4'-tetrahydro- 9,9',10,10'-tetrahydroxy-7,7'-dimethoxy-1,1'-dioxo-, dimethyl ester","C1(=O)c2c(O)c3c(O)c(-c4c(O)c5c(O)c6C(=O)OC(CC(=O)OC)Cc6cc5cc4OC)c(OC)cc3cc2CC(CC(=O)OC)O1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","No alert found","No alert found","o-phenylphenol (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["36507-30-9","carbamazepine epoxide","c12c(C3C(c4c(cccc4)N1C(N)=O)O3)cccc2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives|SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines","SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides","Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines","Epoxides and aziridines","Epoxides and aziridines|H-acceptor-path3-H-acceptor"]
["36507-30-9","carbamazepine epoxide","c12c(C3C(c4c(cccc4)N1C(N)=O)O3)cccc2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives|SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines","SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides","Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines","Epoxides and aziridines","Epoxides and aziridines|H-acceptor-path3-H-acceptor"]
["36507-30-9","carbamazepine epoxide","c12c(C3C(c4c(cccc4)N1C(N)=O)O3)cccc2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives|SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines","SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides","Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines","Epoxides and aziridines","Epoxides and aziridines|H-acceptor-path3-H-acceptor"]
["38252-75-4","butyric acid, 4-(butylnitrosoamino)-3-hydroxy-","C(=O)(O)CC(O)CN(CCCC)N=O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2","Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","Alkyl and aryl N-nitroso groups","Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor"]
["38252-75-4","butyric acid, 4-(butylnitrosoamino)-3-hydroxy-","C(=O)(O)CC(O)CN(CCCC)N=O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2","Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","Alkyl and aryl N-nitroso groups","Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor"]
["40911-07-7","2-butanol, 4-(butylnitrosoamino)-","C(C)(O)CCN(CCCC)N=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2","Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","Alkyl and aryl N-nitroso groups","Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor"]
["40911-07-7","2-butanol, 4-(butylnitrosoamino)-","C(C)(O)CCN(CCCC)N=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2","Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","Alkyl and aryl N-nitroso groups","Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor"]
["42713-66-6","ornithine, n(sup 5)-carbamoyl-n(sup 5)-nitroso-, l-","C(=O)(O)C(N)CCCN(C(N)=O)N=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2","Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives","Alkyl and aryl N-nitroso groups","Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor"]
["51938-13-7","butyl(3-hydroxypropyl)nitrosamine;1-propanol, 3-(butylnitrosoamino)-","C(CCC)N(CCCO)N=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2","Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","Alkyl and aryl N-nitroso groups","Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor"]
["51938-13-7","butyl(3-hydroxypropyl)nitrosamine;1-propanol, 3-(butylnitrosoamino)-","C(CCC)N(CCCO)N=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2","Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","Alkyl and aryl N-nitroso groups","Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor"]
["53198-46-2","n-nitroso(acetoxybenzyl)methylamine;benzyl alcohol, alpha-methylnitrosoamino-, acetate (ester)","c1(C(N(C)N=O)OC(C)=O)ccccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Specific Acetate Esters|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Carbenium ion formation >> Specific Acetate Esters|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds|SN2|SN2 >> Acylating agents|SN2 >> Acylating agents >> Specific Acetate Esters|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Specific Acetate Esters","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes|SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2","Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Specific Acetate Esters|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Carbenium ion formation >> Specific Acetate Esters|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds|SN2|SN2 >> Acylating agents|SN2 >> Acylating agents >> Specific Acetate Esters|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Specific Acetate Esters","Alkyl and aryl N-nitroso groups","Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor"]
["54191-04-7","cyproheptadine 10,11-epoxide","c12C(=C3CCN(C)CC3)c3c(C4C(c1cccc2)O4)cccc3","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines","SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines|SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides","Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines","Epoxides and aziridines","Epoxides and aziridines"]
["54191-04-7","cyproheptadine 10,11-epoxide","c12C(=C3CCN(C)CC3)c3c(C4C(c1cccc2)O4)cccc3","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines","SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines|SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides","Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines","Epoxides and aziridines","Epoxides and aziridines"]
["54191-04-7","cyproheptadine 10,11-epoxide","c12C(=C3CCN(C)CC3)c3c(C4C(c1cccc2)O4)cccc3","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines","SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines|SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides","Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines","Epoxides and aziridines","Epoxides and aziridines"]
["55621-29-9","2-butanol, 1-(butylnitrosoamino)-","C(O)(CC)CN(CCCC)N=O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2","Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","Alkyl and aryl N-nitroso groups","Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor"]
["55621-29-9","2-butanol, 1-(butylnitrosoamino)-","C(O)(CC)CN(CCCC)N=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2","Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","Alkyl and aryl N-nitroso groups","Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor"]
["58256-08-9","1-propanamine, 3-(1a,10b-dihydro-6h-dibenzo(3,4:6,7)cyclohept(1,2-b)oxiren-6-ylidene)-n,n-dimethyl-","c12C(=CCCN(C)C)c3c(C4C(c1cccc2)O4)cccc3","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines","SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines|SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides","Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines","Epoxides and aziridines","Epoxides and aziridines"]
["58256-08-9","1-propanamine, 3-(1a,10b-dihydro-6h-dibenzo(3,4:6,7)cyclohept(1,2-b)oxiren-6-ylidene)-n,n-dimethyl-","c12C(=CCCN(C)C)c3c(C4C(c1cccc2)O4)cccc3","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines","SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines|SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides","Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines","Epoxides and aziridines","Epoxides and aziridines"]
["58256-08-9","1-propanamine, 3-(1a,10b-dihydro-6h-dibenzo(3,4:6,7)cyclohept(1,2-b)oxiren-6-ylidene)-n,n-dimethyl-","c12C(=CCCN(C)C)c3c(C4C(c1cccc2)O4)cccc3","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines","SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines|SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides","Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines","Epoxides and aziridines","Epoxides and aziridines"]
["61734-90-5","3-butanone, 4-(butylnitrosamino)-","C(=O)(CC)CN(CCCC)N=O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2","Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","Alkyl and aryl N-nitroso groups","Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor"]
["61734-90-5","3-butanone, 4-(butylnitrosamino)-","C(=O)(CC)CN(CCCC)N=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2","Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","Alkyl and aryl N-nitroso groups","Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor"]
["61864-02-6","glycine, n-butyl-n-nitroso-","C(=O)(O)CN(CCCC)N=O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2","Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","Alkyl and aryl N-nitroso groups","Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor"]
["62018-89-7","butanol, 4-((2-hydroxyethyl)nitrosoamino)-","C(O)CCCN(CCO)N=O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2","Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","Alkyl and aryl N-nitroso groups","Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor"]
["62018-89-7","butanol, 4-((2-hydroxyethyl)nitrosoamino)-","C(O)CCCN(CCO)N=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2","Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","Alkyl and aryl N-nitroso groups","Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor"]
["62018-90-0","1-butanol, 4-(n-(3-hydroxypropyl)-n-nitrosoamino)-","C(O)CCCN(CCCO)N=O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2","Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","Alkyl and aryl N-nitroso groups","Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor"]
["62018-90-0","1-butanol, 4-(n-(3-hydroxypropyl)-n-nitrosoamino)-","C(O)CCCN(CCCO)N=O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2","Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","Alkyl and aryl N-nitroso groups","Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor"]
["62018-92-2","beta-alanine, n-butyl-n-nitroso-","C(=O)(O)CCN(CCCC)N=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2","Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","Alkyl and aryl N-nitroso groups","Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor"]
["62018-93-3","butanoic acid, 4-((1,1-dimethylethyl)nitrosoamino)-","C(=O)(O)CCCN(C(C)(C)C)N=O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2","Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","Alkyl and aryl N-nitroso groups","Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor"]
["62018-94-4","butyric acid, 4-(n-nitrosopentylamino)-","C(=O)(O)CCCN(CCCCC)N=O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2","Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","Alkyl and aryl N-nitroso groups","Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor"]
["62641-66-1","2(1h)-pyrimidinone, tetrahydro-1-nitroso-","C1(=O)N(N=O)CCCN1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2","Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives","Alkyl and aryl N-nitroso groups","Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor"]
["62641-68-3","carbamic acid, n-(2-hydroxyethyl)-n-nitroso-, ethyl ester","C(=O)(N(CCO)N=O)OCC","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2","Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","Alkyl and aryl N-nitroso groups","Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor"]
["62681-13-4","carbamic acid, (2-(acetyloxy)ethyl)nitroso-, ethyl ester (9ci)","C(C)(=O)OCCN(C(=O)OCC)N=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Specific Acetate Esters|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Carbenium ion formation >> Specific Acetate Esters|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds|SN2|SN2 >> Acylating agents|SN2 >> Acylating agents >> Specific Acetate Esters|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Specific Acetate Esters","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2","Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","Alkyl and aryl N-nitroso groups","Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor"]
["63441-59-8","2,3,5,6-tetramethyl-1,4-dinitrosopiperazine","C1(C)C(C)N(N=O)C(C)C(C)N1N=O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2","Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","Alkyl and aryl N-nitroso groups","Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor"]
["63441-59-8","2,3,5,6-tetramethyl-1,4-dinitrosopiperazine","C1(C)C(C)N(N=O)C(C)C(C)N1N=O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2","Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","Alkyl and aryl N-nitroso groups","Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor"]
["63531-81-7","acetoxymethylbenzylnitrosamine","c1(CN(COC(C)=O)N=O)ccccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Specific Acetate Esters|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Carbenium ion formation >> Specific Acetate Esters|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds|SN2|SN2 >> Acylating agents|SN2 >> Acylating agents >> Specific Acetate Esters|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Specific Acetate Esters","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes|SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2","Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","Alkyl and aryl N-nitroso groups","Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor"]
["89747-88-6","acetamide, n-(8-(dimethylamino)-3-methyl-2-phenazinyl)-2-(methylnitrosoamino)-","c12c(cc(NC(=O)CN(C)N=O)c(C)c1)nc1c(ccc(N(C)C)c1)n2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition|SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2","Alkyl and aryl N-nitroso groups (Genotox)|Aromatic mono-and dialkylamine (Genotox)|Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","Alkyl and aryl N-nitroso groups|Aromatic mono-and dialkylamine|Heterocyclic Polycyclic Aromatic Hydrocarbons","Alkyl and aryl N-nitroso groups|Aromatic mono- and dialkylamine|H-acceptor-path3-H-acceptor|Heterocyclic Polycyclic Aromatic Hydrocarbons"]
["89747-88-6","acetamide, n-(8-(dimethylamino)-3-methyl-2-phenazinyl)-2-(methylnitrosoamino)-","c12c(cc(NC(=O)CN(C)N=O)c(C)c1)nc1c(ccc(N(C)C)c1)n2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition|SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2","Alkyl and aryl N-nitroso groups (Genotox)|Aromatic mono-and dialkylamine (Genotox)|Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","Alkyl and aryl N-nitroso groups|Aromatic mono-and dialkylamine|Heterocyclic Polycyclic Aromatic Hydrocarbons","Alkyl and aryl N-nitroso groups|Aromatic mono- and dialkylamine|H-acceptor-path3-H-acceptor|Heterocyclic Polycyclic Aromatic Hydrocarbons"]
["89747-88-6","acetamide, n-(8-(dimethylamino)-3-methyl-2-phenazinyl)-2-(methylnitrosoamino)-","c12c(cc(NC(=O)CN(C)N=O)c(C)c1)nc1c(ccc(N(C)C)c1)n2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition|SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2","Alkyl and aryl N-nitroso groups (Genotox)|Aromatic mono-and dialkylamine (Genotox)|Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","Alkyl and aryl N-nitroso groups|Aromatic mono-and dialkylamine|Heterocyclic Polycyclic Aromatic Hydrocarbons","Alkyl and aryl N-nitroso groups|Aromatic mono- and dialkylamine|H-acceptor-path3-H-acceptor|Heterocyclic Polycyclic Aromatic Hydrocarbons"]
["89747-88-6","acetamide, n-(8-(dimethylamino)-3-methyl-2-phenazinyl)-2-(methylnitrosoamino)-","c12c(cc(NC(=O)CN(C)N=O)c(C)c1)nc1c(ccc(N(C)C)c1)n2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition|SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2","Alkyl and aryl N-nitroso groups (Genotox)|Aromatic mono-and dialkylamine (Genotox)|Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","Alkyl and aryl N-nitroso groups|Aromatic mono-and dialkylamine|Heterocyclic Polycyclic Aromatic Hydrocarbons","Alkyl and aryl N-nitroso groups|Aromatic mono- and dialkylamine|H-acceptor-path3-H-acceptor|Heterocyclic Polycyclic Aromatic Hydrocarbons"]
["89747-88-6","acetamide, n-(8-(dimethylamino)-3-methyl-2-phenazinyl)-2-(methylnitrosoamino)-","c12c(cc(NC(=O)CN(C)N=O)c(C)c1)nc1c(ccc(N(C)C)c1)n2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition|SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2","Alkyl and aryl N-nitroso groups (Genotox)|Aromatic mono-and dialkylamine (Genotox)|Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","Alkyl and aryl N-nitroso groups|Aromatic mono-and dialkylamine|Heterocyclic Polycyclic Aromatic Hydrocarbons","Alkyl and aryl N-nitroso groups|Aromatic mono- and dialkylamine|H-acceptor-path3-H-acceptor|Heterocyclic Polycyclic Aromatic Hydrocarbons"]
["89747-88-6","acetamide, n-(8-(dimethylamino)-3-methyl-2-phenazinyl)-2-(methylnitrosoamino)-","c12c(cc(NC(=O)CN(C)N=O)c(C)c1)nc1c(ccc(N(C)C)c1)n2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition|SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2","Alkyl and aryl N-nitroso groups (Genotox)|Aromatic mono-and dialkylamine (Genotox)|Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","Alkyl and aryl N-nitroso groups|Aromatic mono-and dialkylamine|Heterocyclic Polycyclic Aromatic Hydrocarbons","Alkyl and aryl N-nitroso groups|Aromatic mono- and dialkylamine|H-acceptor-path3-H-acceptor|Heterocyclic Polycyclic Aromatic Hydrocarbons"]
["476-43-7","anthraquinone, 1,4,5,8-tetrahydroxy-2-methyl-;9,10-anthracenedione, 1,4,5,8-tetrahydroxy-2-methyl- (9ci);1,4,5,8-tetrahydroxy-2-methylanthraquinone","c12C(=O)c3c(C(=O)c1c(O)c(C)cc2O)c(O)ccc3O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Alkyl phenols|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones","Quinones (Genotox)|Structural alert for genotoxic carcinogenicity","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones","Quinones","H-acceptor-path3-H-acceptor|Quinones"]
["476-43-7","anthraquinone, 1,4,5,8-tetrahydroxy-2-methyl-;9,10-anthracenedione, 1,4,5,8-tetrahydroxy-2-methyl- (9ci);1,4,5,8-tetrahydroxy-2-methylanthraquinone","c12C(=O)c3c(C(=O)c1c(O)c(C)cc2O)c(O)ccc3O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Alkyl phenols|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones","Quinones (Genotox)|Structural alert for genotoxic carcinogenicity","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones","Quinones","H-acceptor-path3-H-acceptor|Quinones"]
["553-24-2","neutral red;n8,n8,3-trimethyl-2,8-phenazinediamine monohydrochloride;2,8-phenazinediamine, n8,n8,3-trimethyl-, monohydrochloride;n~8~,n~8~,3-trimethylphenazine-2,8-diamine hydrochloride;n8,n8,3-trimethyl-2,8-phenazinediamine, monohydrochloride","c12c(cc(N)c(C)c1)nc1c(ccc(N(C)C)c1)n2_Cl","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"No alert found|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition|No alert found|SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine","Aromatic mono-and dialkylamine (Genotox)|Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","Aromatic mono-and dialkylamine|Heterocyclic Polycyclic Aromatic Hydrocarbons|Primary aromatic amine,hydroxyl amine and its derived esters","Aromatic mono- and dialkylamine|H-acceptor-path3-H-acceptor|Heterocyclic Polycyclic Aromatic Hydrocarbons|Primary aromatic amine, hydroxyl amine and its derived esters"]
["553-24-2","neutral red;n8,n8,3-trimethyl-2,8-phenazinediamine monohydrochloride;2,8-phenazinediamine, n8,n8,3-trimethyl-, monohydrochloride;n~8~,n~8~,3-trimethylphenazine-2,8-diamine hydrochloride;n8,n8,3-trimethyl-2,8-phenazinediamine, monohydrochloride","c12c(cc(N)c(C)c1)nc1c(ccc(N(C)C)c1)n2_Cl","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"No alert found|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition|No alert found|SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine","Aromatic mono-and dialkylamine (Genotox)|Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","Aromatic mono-and dialkylamine|Heterocyclic Polycyclic Aromatic Hydrocarbons|Primary aromatic amine,hydroxyl amine and its derived esters","Aromatic mono- and dialkylamine|H-acceptor-path3-H-acceptor|Heterocyclic Polycyclic Aromatic Hydrocarbons|Primary aromatic amine, hydroxyl amine and its derived esters"]
["553-24-2","neutral red;n8,n8,3-trimethyl-2,8-phenazinediamine monohydrochloride;2,8-phenazinediamine, n8,n8,3-trimethyl-, monohydrochloride;n~8~,n~8~,3-trimethylphenazine-2,8-diamine hydrochloride;n8,n8,3-trimethyl-2,8-phenazinediamine, monohydrochloride","c12c(cc(N)c(C)c1)nc1c(ccc(N(C)C)c1)n2_Cl","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","No alert found|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition|No alert found|SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine","Aromatic mono-and dialkylamine (Genotox)|Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","Aromatic mono-and dialkylamine|Heterocyclic Polycyclic Aromatic Hydrocarbons|Primary aromatic amine,hydroxyl amine and its derived esters","Aromatic mono- and dialkylamine|H-acceptor-path3-H-acceptor|Heterocyclic Polycyclic Aromatic Hydrocarbons|Primary aromatic amine, hydroxyl amine and its derived esters"]
["553-24-2","neutral red;n8,n8,3-trimethyl-2,8-phenazinediamine monohydrochloride;2,8-phenazinediamine, n8,n8,3-trimethyl-, monohydrochloride;n~8~,n~8~,3-trimethylphenazine-2,8-diamine hydrochloride;n8,n8,3-trimethyl-2,8-phenazinediamine, monohydrochloride","c12c(cc(N)c(C)c1)nc1c(ccc(N(C)C)c1)n2_Cl","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","No alert found|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition|No alert found|SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine","Aromatic mono-and dialkylamine (Genotox)|Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","Aromatic mono-and dialkylamine|Heterocyclic Polycyclic Aromatic Hydrocarbons|Primary aromatic amine,hydroxyl amine and its derived esters","Aromatic mono- and dialkylamine|H-acceptor-path3-H-acceptor|Heterocyclic Polycyclic Aromatic Hydrocarbons|Primary aromatic amine, hydroxyl amine and its derived esters"]
["4424-03-07","spiro[3h-2,1-benzoxathiole-3,9'-[9h]xanthrene]-*;spiro[3h-2,1-benzoxathiole-3,9'-[9h]xanthene]-3',6'-diol 1,1-dioxide;spiro[2,1-benzoxathiole-3,9'-xanthene]-3',6'-diol 1,1-dioxide","c12C3(c4c(cc(O)cc4)Oc4c3ccc(O)c4)OS(=O)(=O)c1cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Sulfonates and Sulfates","No alert found","No alert found","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Sulfonates and Sulfates","No alert found","1-phenoxy-benzene|H-acceptor-path3-H-acceptor"]
["7213-59-4","anthraquinone, 3-methoxy-6-methyl-1,2,8-trihydroxy-;3-me ether;1,2,3,8-tetrahydroxy-6-methylanthraquinone","c12C(=O)c3c(C(=O)c1c(O)c(O)c(OC)c2)c(O)cc(C)c3","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones","Quinones (Genotox)|Structural alert for genotoxic carcinogenicity","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones","Quinones","H-acceptor-path3-H-acceptor|Quinones"]
["7213-59-4","anthraquinone, 3-methoxy-6-methyl-1,2,8-trihydroxy-;3-me ether;1,2,3,8-tetrahydroxy-6-methylanthraquinone","c12C(=O)c3c(C(=O)c1c(O)c(O)c(OC)c2)c(O)cc(C)c3","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones","Quinones (Genotox)|Structural alert for genotoxic carcinogenicity","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones","Quinones","H-acceptor-path3-H-acceptor|Quinones"]
["16306-16-4","7h-benz(de)anthracen-7-one, 3-hydroxy-","c12C(=O)c3c(-c4c1c(c(O)cc4)ccc2)cccc3","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["16306-16-4","7h-benz(de)anthracen-7-one, 3-hydroxy-","c12C(=O)c3c(-c4c1c(c(O)cc4)ccc2)cccc3","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["27591-97-5","tilorone;9h-fluoren-9-one, 2,7-bis(2-(diethylamino)ethoxy)-","c12C(=O)c3c(-c1ccc(OCCN(CC)CC)c2)ccc(OCCN(CC)CC)c3","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"No alert found","SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Polycyclic Aromatic Hydrocarbons","H-acceptor-path3-H-acceptor|Polycyclic Aromatic Hydrocarbons"]
["36099-26-0","oxirane, (1,1'-biphenyl)-4-yl-","c1(-c2ccc(C3CO3)cc2)ccccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines","SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides","Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines","Epoxides and aziridines","Epoxides and aziridines"]
["36099-26-0","oxirane, (1,1'-biphenyl)-4-yl-","c1(-c2ccc(C3CO3)cc2)ccccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines","SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides","Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines","Epoxides and aziridines","Epoxides and aziridines"]
["50283-78-8","hycanthone furoate;2-furancarboxylic acid, (1-((2-(diethylamino)ethyl)amino)-9-oxo-9h-thioxanthen-4-yl)methyl ester","c12C(=O)c3c(c(COC(=O)C4=CC=CO4)ccc3NCCN(CC)CC)Sc1cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"No alert found","Michael addition|Michael addition >> P450 Mediated Activation of Heterocyclic Ring Systems|Michael addition >> P450 Mediated Activation of Heterocyclic Ring Systems >> Furans|SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Secondary aromatic amine","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["50283-78-8","hycanthone furoate;2-furancarboxylic acid, (1-((2-(diethylamino)ethyl)amino)-9-oxo-9h-thioxanthen-4-yl)methyl ester","c12C(=O)c3c(c(COC(=O)C4=CC=CO4)ccc3NCCN(CC)CC)Sc1cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"No alert found","Michael addition|Michael addition >> P450 Mediated Activation of Heterocyclic Ring Systems|Michael addition >> P450 Mediated Activation of Heterocyclic Ring Systems >> Furans|SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Secondary aromatic amine","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["54484-90-1","hycanthone n-oxide;thioxanthen-9-one, 1-((2-(diethylamino)ethyl)amino)-4-(hydroxymethyl)-, n-oxide","c12C(=O)c3c(c(CO)ccc3NCC(CC)N(O)CC)Sc1cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> N-hydroxylamines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Secondary aromatic amine","No alert found","SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> N-hydroxylamines","No alert found","H-acceptor-path3-H-acceptor"]
["54484-90-1","hycanthone n-oxide;thioxanthen-9-one, 1-((2-(diethylamino)ethyl)amino)-4-(hydroxymethyl)-, n-oxide","c12C(=O)c3c(c(CO)ccc3NCC(CC)N(O)CC)Sc1cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> N-hydroxylamines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Secondary aromatic amine","No alert found","SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> N-hydroxylamines","No alert found","H-acceptor-path3-H-acceptor"]
["69657-88-1","9,10-anthracenedione, 1,4-bis(dimethylamino)-5,8-dihydroxy-","c12C(=O)c3c(C(=O)c1c(N(C)C)ccc2N(C)C)c(O)ccc3O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones|SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine","Aromatic mono-and dialkylamine (Genotox)|Quinones (Genotox)|Structural alert for genotoxic carcinogenicity","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones","Aromatic mono-and dialkylamine|Quinones","Aromatic mono- and dialkylamine|H-acceptor-path3-H-acceptor|Quinones"]
["69657-88-1","9,10-anthracenedione, 1,4-bis(dimethylamino)-5,8-dihydroxy-","c12C(=O)c3c(C(=O)c1c(N(C)C)ccc2N(C)C)c(O)ccc3O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones|SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine","Aromatic mono-and dialkylamine (Genotox)|Quinones (Genotox)|Structural alert for genotoxic carcinogenicity","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones","Aromatic mono-and dialkylamine|Quinones","Aromatic mono- and dialkylamine|H-acceptor-path3-H-acceptor|Quinones"]
["69658-13-5","acetic acid, ((7-oxo-7h-benz(de)anthracen-3-yl)thio)-","c12C(=O)c3c(-c4c1c(c(SCC(=O)O)cc4)ccc2)cccc3","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["69658-13-5","acetic acid, ((7-oxo-7h-benz(de)anthracen-3-yl)thio)-","c12C(=O)c3c(-c4c1c(c(SCC(=O)O)cc4)ccc2)cccc3","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["69658-14-6","acetic acid, ((7-oxo-7h-benz(de)anthracen-3-yl)thio)-, ethyl ester","c12C(=O)c3c(-c4c1c(c(SCC(=O)OCC)cc4)ccc2)cccc3","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["69658-14-6","acetic acid, ((7-oxo-7h-benz(de)anthracen-3-yl)thio)-, ethyl ester","c12C(=O)c3c(-c4c1c(c(SCC(=O)OCC)cc4)ccc2)cccc3","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["116-63-2","4-amino-3-hydroxy-naphthalene-1-sulfonic acid;4-amino-3-hydroxynaphthalene-1-sulphonic acid;1-naphthalenesulfonic acid, 4-amino-3-hydroxy-;4-amino-3-hydroxynaphthalene-1-sulfonic acid","c1(S(=O)(=O)O)c2c(c(N)c(O)c1)cccc2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["116-63-2","4-amino-3-hydroxy-naphthalene-1-sulfonic acid;4-amino-3-hydroxynaphthalene-1-sulphonic acid;1-naphthalenesulfonic acid, 4-amino-3-hydroxy-;4-amino-3-hydroxynaphthalene-1-sulfonic acid","c1(S(=O)(=O)O)c2c(c(N)c(O)c1)cccc2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["116-83-6","anthraquinone, 1-amino-4-methoxy-;9,10-anthracenedione, 1-amino-4-methoxy- (9ci)","c12C(=O)c3c(C(=O)c1c(OC)ccc2N)cccc3","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Quinones (Genotox)|Structural alert for genotoxic carcinogenicity","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones","Primary aromatic amine,hydroxyl amine and its derived esters|Quinones","H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters|Quinones"]
["116-83-6","anthraquinone, 1-amino-4-methoxy-;9,10-anthracenedione, 1-amino-4-methoxy- (9ci)","c12C(=O)c3c(C(=O)c1c(OC)ccc2N)cccc3","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Quinones (Genotox)|Structural alert for genotoxic carcinogenicity","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones","Primary aromatic amine,hydroxyl amine and its derived esters|Quinones","H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters|Quinones"]
["5615-07-06","9h-thioxanthen-9-one, 6-chloro-1-((2-(diethylamino)ethyl)amino)-4-methyl-, n-oxide","c12C(=O)c3c(c(C)ccc3N(=O)CCN(CC)CC)Sc1cc(Cl)cc2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"No alert found","SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["5615-07-06","9h-thioxanthen-9-one, 6-chloro-1-((2-(diethylamino)ethyl)amino)-4-methyl-, n-oxide","c12C(=O)c3c(c(C)ccc3N(=O)CCN(CC)CC)Sc1cc(Cl)cc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","No alert found","SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["6837-97-4","1,5-dichloro-4,8-dihydroxyanthraquinone;9,10-anthracenedione, 1,5-dichloro-4,8-dihydroxy-;1,5-dichloro-4,8-dihydroxyanthracene-9,10-dione;anthraquinone, 1,5-dichloro-4,8-dihydroxy- (8ci)","c12C(=O)c3c(C(=O)c1c(Cl)ccc2O)c(O)ccc3Cl","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones","No alert found","Halogenated benzene (Nongenotox)|Quinones (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones","Quinones","H-acceptor-path3-H-acceptor|Quinones"]
["6837-97-4","1,5-dichloro-4,8-dihydroxyanthraquinone;9,10-anthracenedione, 1,5-dichloro-4,8-dihydroxy-;1,5-dichloro-4,8-dihydroxyanthracene-9,10-dione;anthraquinone, 1,5-dichloro-4,8-dihydroxy- (8ci)","c12C(=O)c3c(C(=O)c1c(Cl)ccc2O)c(O)ccc3Cl","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones","No alert found","Halogenated benzene (Nongenotox)|Quinones (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones","Quinones","H-acceptor-path3-H-acceptor|Quinones"]
["8062-14-4",null,"c1(N=Nc2ccc(S(=O)(=O)O{-}.[Na]{+})cc2)c(N)cc(N)c(C)c1_c1(N=Nc2ccc(S(=O)(=O)O{-}.[Na]{+})cc2)c(N)cc(N)c(N=Nc2ccc(S(=O)(=O)O{-}.[Na]{+})cc2)c1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","N/A","YES","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic azo|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Aromatic diazo (Genotox)|No alert found|Structural alert for genotoxic carcinogenicity","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","Aromatic diazo|No alert found","Aromatic diazo|H-acceptor-path3-H-acceptor"]
["8062-14-4",null,"c1(N=Nc2ccc(S(=O)(=O)O{-}.[Na]{+})cc2)c(N)cc(N)c(C)c1_c1(N=Nc2ccc(S(=O)(=O)O{-}.[Na]{+})cc2)c(N)cc(N)c(N=Nc2ccc(S(=O)(=O)O{-}.[Na]{+})cc2)c1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","N/A","YES","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic azo|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Aromatic diazo (Genotox)|No alert found|Structural alert for genotoxic carcinogenicity","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","Aromatic diazo|No alert found","Aromatic diazo|H-acceptor-path3-H-acceptor"]
["10019-24-6","ethylene, tetrakis(p-methoxyphenyl)- (8ci)","c1(C(c2ccc(OC)cc2)=C(c2ccc(OC)cc2)c2ccc(OC)cc2)ccc(OC)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["10019-24-6","ethylene, tetrakis(p-methoxyphenyl)- (8ci)","c1(C(c2ccc(OC)cc2)=C(c2ccc(OC)cc2)c2ccc(OC)cc2)ccc(OC)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["10019-24-6","ethylene, tetrakis(p-methoxyphenyl)- (8ci)","c1(C(c2ccc(OC)cc2)=C(c2ccc(OC)cc2)c2ccc(OC)cc2)ccc(OC)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["42794-87-6","benzidine, 3,3',5,5'-tetrafluoro-;(1,1'-biphenyl)-4,4'-diamine, 3,3',5,5'-tetrafluoro- (9ci)","c1(-c2cc(F)c(N)c(F)c2)cc(F)c(N)c(F)c1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","No alert found","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Primary aromatic amine,hydroxyl amine and its derived esters","Primary aromatic amine, hydroxyl amine and its derived esters"]
["42794-87-6","benzidine, 3,3',5,5'-tetrafluoro-;(1,1'-biphenyl)-4,4'-diamine, 3,3',5,5'-tetrafluoro- (9ci)","c1(-c2cc(F)c(N)c(F)c2)cc(F)c(N)c(F)c1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","No alert found","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Primary aromatic amine,hydroxyl amine and its derived esters","Primary aromatic amine, hydroxyl amine and its derived esters"]
["51461-16-6","anthraquinone, 1,5-dinitro-2-methyl-","c12C(=O)c3c(C(=O)c1c(N(=O)=O)c(C)cc2)cccc3N(=O)=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Radical >> Radical mechanism by ROS formation >> Quinones|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro","Nitro-aromatic (Genotox)|Quinones (Genotox)|Structural alert for genotoxic carcinogenicity","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Radical >> Radical mechanism by ROS formation >> Quinones|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","Nitro-aromatic|Quinones","H-acceptor-path3-H-acceptor|Nitro-aromatic|Quinones"]
["51461-16-6","anthraquinone, 1,5-dinitro-2-methyl-","c12C(=O)c3c(C(=O)c1c(N(=O)=O)c(C)cc2)cccc3N(=O)=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Radical >> Radical mechanism by ROS formation >> Quinones|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro","Nitro-aromatic (Genotox)|Quinones (Genotox)|Structural alert for genotoxic carcinogenicity","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Radical >> Radical mechanism by ROS formation >> Quinones|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","Nitro-aromatic|Quinones","H-acceptor-path3-H-acceptor|Nitro-aromatic|Quinones"]
["54942-44-8","9h-thioxanthen-9-one, 6-chloro-4-methyl-1-(4-methyl-1-piperazinyl)-","c12C(=O)c3c(c(C)ccc3N3CCN(C)CC3)Sc1cc(Cl)cc2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"No alert found","SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine","Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["54942-44-8","9h-thioxanthen-9-one, 6-chloro-4-methyl-1-(4-methyl-1-piperazinyl)-","c12C(=O)c3c(c(C)ccc3N3CCN(C)CC3)Sc1cc(Cl)cc2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","No alert found","SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine","Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["60223-51-0","3,6-dimethoxy-9,10-bis(4-methoxyphenyl)phenanthrene","c1(-c2c(-c3ccc(OC)cc3)c3c(c4c2ccc(OC)c4)cc(OC)cc3)ccc(OC)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","No alert found","Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons"]
["60223-51-0","3,6-dimethoxy-9,10-bis(4-methoxyphenyl)phenanthrene","c1(-c2c(-c3ccc(OC)cc3)c3c(c4c2ccc(OC)c4)cc(OC)cc3)ccc(OC)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","No alert found","Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons"]
["60223-51-0","3,6-dimethoxy-9,10-bis(4-methoxyphenyl)phenanthrene","c1(-c2c(-c3ccc(OC)cc3)c3c(c4c2ccc(OC)c4)cc(OC)cc3)ccc(OC)cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","No alert found","Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons"]
["60666-36-6","2h-(1)benzothiopyrano(4,3,2-cd)indazole-5-methanol, 8-chloro-2-(2-(diethylamino)ethyl)-, n-oxide, monomethanesulfonate (salt)","c12C3c4c(c(CO)ccc4N(CCN(CC)CC)N=3=O)Sc1cc(Cl)cc2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"No alert found","SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["60666-36-6","2h-(1)benzothiopyrano(4,3,2-cd)indazole-5-methanol, 8-chloro-2-(2-(diethylamino)ethyl)-, n-oxide, monomethanesulfonate (salt)","c12C3c4c(c(CO)ccc4N(CCN(CC)CC)N=3=O)Sc1cc(Cl)cc2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","No alert found","SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["63224-46-4","n-myristoyloxy-n-myristoyl-2-aminofluorene","c12-c3c(C(OC(=O)CCCCCCCCCCCCC)c1cc(NC(=O)CCCCCCCCCCCCC)cc2)cccc3","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"No alert found","No alert found","Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Polycyclic Aromatic Hydrocarbons","H-acceptor-path3-H-acceptor|Polycyclic Aromatic Hydrocarbons"]
["64345-84-2","lucanthone n-oxide monomethanesulfonate","c12C(=O)c3c(c(C)ccc3NCCN(=O)(CC)CC)Sc1cccc2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"No alert found","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Secondary aromatic amine","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["64345-84-2","lucanthone n-oxide monomethanesulfonate","c12C(=O)c3c(c(C)ccc3NCCN(=O)(CC)CC)Sc1cccc2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","No alert found","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Secondary aromatic amine","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["64414-68-2","benzidine, 3,3'-dichloro-, sulfate","c1(-c2cc(Cl)c(N)cc2)cc(Cl)c(N)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","without S9","Mutation Research, 168 (1996) 69-240","TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Primary aromatic amine,hydroxyl amine and its derived esters","Primary aromatic amine, hydroxyl amine and its derived esters"]
["64414-68-2","benzidine, 3,3'-dichloro-, sulfate","c1(-c2cc(Cl)c(N)cc2)cc(Cl)c(N)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Primary aromatic amine,hydroxyl amine and its derived esters","Primary aromatic amine, hydroxyl amine and its derived esters"]
["219-08-9","cyclopentaphenanthrene;17h-cyclopenta(a)phenanthrene","c12c(c3c(c4c(cccc4)cc3)cc1)C=CC2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1","Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons"]
["549-38-2","3'-methyl-1,2-cyclopentenophenanthrene;17h-cyclopenta(a)phenanthrene, 15,16-dihydro-17-methyl-","c12c(c3c(c4c(C(C)CC4)cc3)cc1)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1","Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons"]
["789-46-8","15,16-dihydro-12-methylcyclopenta(a)phenanthren-17-one","C1(=O)c2c(c3c(c4c(cccc4)cc3)cc2C)CC1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1","Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons"]
["792-07-4","17h-cyclopenta(a)phenanthren-17-one, 15,16-dihydro-3-methoxy-","C1(=O)c2c(c3c(c4c(cc(OC)cc4)cc3)cc2)CC1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","No alert found","Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons"]
["894-52-0","cyclopenta(a)phenanthren-17-one, 15,16-dihydro-11,12-dimethyl-","C1(=O)c2c(C)c(C)c3c4c(ccc3c2CC1)cccc4","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1","Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons"]
["1064-06-8","flavone, 3,3',4',5,7-pentahydroxy-, pentaacetate","C1(OC(C)=O)C(=O)c2c(cc(OC(C)=O)cc2OC(C)=O)OC=1c1cc(OC(C)=O)c(OC(C)=O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Specific Acetate Esters|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Specific Acetate Esters|SN2|SN2 >> Acylating agents|SN2 >> Acylating agents >> Specific Acetate Esters|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Specific Acetate Esters","No alert found","Quercetin type flavonoids (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","1,3-dialkoxy-benzene|H-acceptor-path3-H-acceptor"]
["1064-06-8","flavone, 3,3',4',5,7-pentahydroxy-, pentaacetate","C1(OC(C)=O)C(=O)c2c(cc(OC(C)=O)cc2OC(C)=O)OC=1c1cc(OC(C)=O)c(OC(C)=O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Specific Acetate Esters|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Specific Acetate Esters|SN2|SN2 >> Acylating agents|SN2 >> Acylating agents >> Specific Acetate Esters|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Specific Acetate Esters","No alert found","Quercetin type flavonoids (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found","No alert found","1,3-dialkoxy-benzene|H-acceptor-path3-H-acceptor"]
["3343-07-05","benz[j]aceanthrylen-1(2h)-one, 3-methyl-","C1(=O)c2c3c(c4c(cccc4)cc3)cc3c2c(c(C)cc3)C1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1","Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons"]
["3343-08-06",null,"C1(=O)C2c3c(c4c(c5c(cccc5)cc4)cc3C=CC=2C)C1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1","Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons"]
["3343-08-06",null,"C1(=O)C2c3c(c4c(c5c(cccc5)cc4)cc3C=CC=2C)C1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1","Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons"]
["3343-12-02","cholanthrene-11,12-diol, 11,12-dihydro-3-methyl-, (e)-","c12-c3c(c4c5c(c(C)ccc5c3)CC4)C(O)C(O)c1cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["3353-08-0",null,"c12c(c3c(c4c(C(C)C=C4)cc3)cc1)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1","Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons"]
["3719-37-7","benz(a)anthracene, 5,6-dihydro-5,6-dihydroxy-, (e)-","c12-c3c(C(O)C(O)c1cc1c(cccc1)c2)cccc3","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["3719-40-2","dibenz(a,h)anthracene-5,6-diol","c12-c3c(C(O)C(O)c1cc1c4c(ccc1c2)cccc4)cccc3","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1","Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons","H-acceptor-path3-H-acceptor|Polycyclic Aromatic Hydrocarbons"]
["5831-08-03","15h-cyclopenta(a)phenanthrene, 3-methoxy-17-methyl-","C1(C)c2c(c3c(c4c(cc(OC)cc4)cc3)cc2)CC=1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","No alert found","Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons"]
["5831-09-04","15h-cyclopenta(a)phenanthrene, 12,17-dimethyl-","C1(C)c2c(c3c(c4c(cccc4)cc3)cc2C)CC=1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1","Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons"]
["5831-10-07","15h-cyclopenta(a)phenanthrene, 12,17-dimethyl-","C1(C)c2c(c3c(c4c(cccc4)cc3)c(C)c2)CC=1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1","Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons"]
["5831-11-08","15h-cyclopenta(a)phenanthrene, 11,12,17-trimethyl-","C1(C)c2c(C)c(C)c3c4c(ccc3c2CC=1)cccc4","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1","Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons"]
["5831-12-09","15h-cyclopenta(a)phenanthrene, 11-methoxy-17-methy","C1(C)c2c(c3c(c4c(cccc4)cc3)c(OC)c2)CC=1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1","Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons"]
["5831-16-3","l-15h-cyclopenta(a)phenanthrene, 11,17-dimethyl-16,17-dihydro-;15h-cyclopenta(a)phenanthrene, 11,17-dimethyl-16,17-dihydro-","c12c(c3c(c4c(C(C)CC4)cc3C)cc1)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1","Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons"]
["16310-69-3","dibenz[a,j]anthracene, 1,2,3,4,8,9-hexahydro-;dibenz(a,j)anthracene, 1,2,3,4,8,9-hexahydro-","c12-c3c(cc4c(c5c(cc4)CCCC5)c3)CCc1cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["20661-60-3","sarcosine, n-nitro-","C(=O)(O)CN(C)N(=O)=O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","No alert found","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Aliphatic N-Nitro","Aliphatic N-nitro group (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Aliphatic N-nitro group","Aliphatic N-nitro group|H-acceptor-path3-H-acceptor"]
["24684-42-2","cyclopenta(a)phenanthren-15-one, 16,17-dihydro-11-methyl-","C1(=O)c2c3c(c4c(cccc4)cc3)c(C)cc2CC1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1","Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons"]
["24684-49-9","17h-cyclopenta(a)phenanthren-17-one, 15,16-dihydro-6-methoxy-11-methyl-","C1(=O)c2c(c3c(c4c(c(OC)c3)cccc4)c(C)c2)CC1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1","Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons"]
["24684-56-8","17h-cyclopenta(a)phenanthren-17-one, 15,16-dihydro-16-hydroxy-11-methyl-","C1(=O)c2c(c3c(c4c(cccc4)cc3)c(C)c2)CC1O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1","Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons","H-acceptor-path3-H-acceptor|Polycyclic Aromatic Hydrocarbons"]
["26584-90-7","15h-cyclopenta(a)phenanthrene, 16,17-dihydro-3-methoxy-17-methyl-","c12c(c3c(c4c(C(C)CC4)cc3)cc1)ccc(OC)c2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","No alert found","Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons"]
["27343-29-9","chrysen-1-one, 1,2,3,4-tetrahydro-11-methyl-","C1(=O)c2c(c3c(c4c(cccc4)cc3)c(C)c2)CCC1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1","Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons"]
["27343-44-8","17h-cyclopenta(a)phenanthren-17-one, 15,16-dihydro-6-methyl-","C1(=O)c2c(c3c(c4c(c(C)c3)cccc4)cc2)CC1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1","Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons"]
["27343-46-0","17h-cyclopenta(a)phenanthren-17-one, 15,16-dihydro-2-methyl-","C1(=O)c2c(c3c(c4c(ccc(C)c4)cc3)cc2)CC1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","No alert found","Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons"]
["27363-65-1","17(h)-cyclopenta(a)phenanthren-17-one, 15,16-dihydro-3-methyl-","C1(=O)c2c(c3c(c4c(cc(C)cc4)cc3)cc2)CC1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","No alert found","Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons"]
["30835-61-1","17h-cyclopenta(a)phenanthren-17-one, 15,16-dihydro-11-methoxy-7-methyl-","C1(=O)c2c(c3c(c4c(cc3C)cccc4)c(OC)c2)CC1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1","Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons"]
["30835-65-5","17h-cyclopenta(a)phenanthren-17-one, 15,16-dihydro-7-methyl-","C1(=O)c2c(c3c(c4c(cc3C)cccc4)cc2)CC1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1","Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons"]
["32425-83-5","15h-cyclopenta(a)phenanthren-15-one, 16,17-dihydro-","C1(=O)c2c3c(c4c(cccc4)cc3)ccc2CC1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1","Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons"]
["34501-24-1","benz(a)anthracene, 8,9-dihydro-8,9-dihydroxy-, (e)-","c12c(c3c(cc4c(C=CC(O)C4O)c3)cc1)cccc2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1","Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons","H-acceptor-path3-H-acceptor|Polycyclic Aromatic Hydrocarbons"]
["35281-25-5","benzo[b]triphenylene, 9,14-dihydro-;benzo(b)triphenylene, 9,14-dihydro-","c12c(c3c(c4c1cccc4)cccc3)Cc1c(cccc1)C2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes|SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1","Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons"]
["35281-32-4","dibenzo(def,mno)chrysene, 4,5-dihydro-","c12c3c4c5c6c(cc4ccc3ccc1)cccc6CCc5c2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","No alert found","Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons"]
["35281-34-6","dibenzo[def,mno]chrysene, 1,2,3,7,8,9-hexahydro-;dibenzo(def,mno)chrysene, 1,2,3,7,8,9-hexahydro-","c12c3c4c5c6c(cc4ccc3CCC1)CCCc6ccc5c2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","No alert found","Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons"]
["36193-75-6","benzo(f)quinoline, 3-amino-","c12c(c3c(cccc3)cc1)ccc(N)n2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Heterocyclic Polycyclic Aromatic Hydrocarbons|Primary aromatic amine,hydroxyl amine and its derived esters","Heterocyclic Polycyclic Aromatic Hydrocarbons|Primary aromatic amine, hydroxyl amine and its derived esters"]
["36193-75-6","benzo(f)quinoline, 3-amino-","c12c(c3c(cccc3)cc1)ccc(N)n2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Heterocyclic Polycyclic Aromatic Hydrocarbons|Primary aromatic amine,hydroxyl amine and its derived esters","Heterocyclic Polycyclic Aromatic Hydrocarbons|Primary aromatic amine, hydroxyl amine and its derived esters"]
["42028-27-3","cyclopenta(a)phenanthren-17-one, 15,16-dihydro-11-ethyl-","C1(=O)c2c(c3c(c4c(cccc4)cc3)c(CC)c2)CC1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1","Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons"]
["51274-68-1","(1,1'-biphenyl)-4-ol, 2,2',5,5'-tetrachloro-","c1(-c2c(Cl)cc(O)c(Cl)c2)c(Cl)ccc(Cl)c1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["51274-68-1","(1,1'-biphenyl)-4-ol, 2,2',5,5'-tetrachloro-","c1(-c2c(Cl)cc(O)c(Cl)c2)c(Cl)ccc(Cl)c1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["51274-68-1","(1,1'-biphenyl)-4-ol, 2,2',5,5'-tetrachloro-","c1(-c2c(Cl)cc(O)c(Cl)c2)c(Cl)ccc(Cl)c1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["51274-68-1","(1,1'-biphenyl)-4-ol, 2,2',5,5'-tetrachloro-","c1(-c2c(Cl)cc(O)c(Cl)c2)c(Cl)ccc(Cl)c1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["52171-92-3","chrysene, 1,11-dimethyl-","c1(C)c2c(c3c(c4c(cccc4)cc3)c(C)c2)ccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1","Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons"]
["52171-93-4","chrysene, 3,4-dihydro-1,11-dimethyl-","C1(C)c2c(c3c(c4c(cccc4)cc3)c(C)c2)CCC=1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1","Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons"]
["57816-08-7","dibenz(a,h)anthracene, 7,14-dihydro-","c12c(c3c(cccc3)cc1)Cc1c(c3c(cccc3)cc1)C2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["60967-88-6","benz(a)anthracene, 1,2-dihydro-1,2-dihydroxy-, (e)-","c12c(c3c(C=CC(O)C3O)cc1)cc1c(cccc1)c2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition","Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Polycyclic Aromatic Hydrocarbons","H-acceptor-path3-H-acceptor|Polycyclic Aromatic Hydrocarbons"]
["60967-89-7","benz(a)anthracene, 3,4-dihydro-3,4-dihydroxy-, (e)-","c12c(c3c(C(O)C(O)C=C3)cc1)cc1c(cccc1)c2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition","Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Polycyclic Aromatic Hydrocarbons","H-acceptor-path3-H-acceptor|Polycyclic Aromatic Hydrocarbons"]
["60967-90-0","benz(a)anthracene, 10,11-dihydro-10,11-dihydroxy-, (e)-","c12c(c3c(cc4c(C(O)C(O)C=C4)c3)cc1)cccc2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1","Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons","H-acceptor-path3-H-acceptor|Polycyclic Aromatic Hydrocarbons"]
["61413-38-5",null,"c1(F)c2c(c3c(c4c(cc3C)cccc4)c1)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1","Halogenated benzene (Nongenotox)|Halogenated PAH (naphthalenes, biphenyls, diphenyls) (Nongenotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons"]
["61738-08-7","chrysene, 1-fluoro-4-methyl-","c12c(c3c(c4c(c(F)ccc4C)cc3)cc1)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1","Halogenated benzene (Nongenotox)|Halogenated PAH (naphthalenes, biphenyls, diphenyls) (Nongenotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons"]
["63642-50-2","1(2h)-chrysenone, 3,4-dihydro-","C1(=O)c2c(c3c(c4c(cccc4)cc3)cc2)CCC1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1","Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons"]
["63642-51-3","17h-cyclopenta(a)phenanthren-17-one, 15,16-dihydro-11-butyl-","C1(=O)c2c(c3c(c4c(cccc4)cc3)c(CCCC)c2)CC1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1","Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons"]
["64431-58-9","1-naphthacenecarboxylic acid, 1,2,3,4,6,11-hexahydro-6,11-dioxo-2-ethyl-4-((2,3,6-trideoxy-4-o-(2,6-dideoxy-4-o-((2r-trans)-tetrahydro-6-methyl-5-oxo-2h-pyran-2-yl)-alpha-l-lyxo-hexopyranosyl)","c12C(=O)c3c(C(=O)c1c(O)c1c(C(C(=O)OC)C(O)(CC)CC1OC1CC(NC)C(OC4CC(O)C(OC5CCC(=O)C(C)O5)C(C)O4)C(C)O1)c2)c(O)ccc3","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones","No alert found","Quinones (Genotox)|Structural alert for genotoxic carcinogenicity","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones","Quinones","H-acceptor-path3-H-acceptor|Quinones"]
["64977-44-2","chrysene, 1-fluoro-5-methyl-","c1(F)c2c(c3c(c4c(cc3C)cccc4)cc2)ccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1","Halogenated benzene (Nongenotox)|Halogenated PAH (naphthalenes, biphenyls, diphenyls) (Nongenotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons"]
["64977-46-4","chrysene, 6-fluoro-5-methyl-","c12c(c3c(C)c(F)c4c(c3cc1)cccc4)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1","Halogenated benzene (Nongenotox)|Halogenated PAH (naphthalenes, biphenyls, diphenyls) (Nongenotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons"]
["64977-48-6","chrysene, 9-fluoro-5-methyl-","c12c(c3c(c4c(cc3C)ccc(F)c4)cc1)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1","Halogenated benzene (Nongenotox)|Halogenated PAH (naphthalenes, biphenyls, diphenyls) (Nongenotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons"]
["64977-49-7","chrysene, 11-fluoro-5-methyl-","c12c(c3c(c4c(cc3C)cccc4)c(F)c1)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1","Halogenated benzene (Nongenotox)|Halogenated PAH (naphthalenes, biphenyls, diphenyls) (Nongenotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons"]
["65527-53-9","homocoralyne sulfopropionate","c12c(C3Cc4c(C(CC)N3CC1)cc(OC)c(OC)c4)cc(OC)c(OC)c2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","No alert found","SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["67110-84-3","1h-indeno(1,2-c)pyridine, 2,3,4,4a,5,9b-hexahydro-2-ethyl-7-methyl-5-p-tolyl-, hydrochloride, (4ars,5rs,9brs)-","c12c(C(c3ccc(C)cc3)C3C1CN(CC)CC3)cc(C)cc2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes|SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","No alert found","No alert found","No alert found","No alert found"]
["67110-84-3","1h-indeno(1,2-c)pyridine, 2,3,4,4a,5,9b-hexahydro-2-ethyl-7-methyl-5-p-tolyl-, hydrochloride, (4ars,5rs,9brs)-","c12c(C(c3ccc(C)cc3)C3C1CN(CC)CC3)cc(C)cc2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes|SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","No alert found","No alert found","No alert found","No alert found"]
["67110-84-3","1h-indeno(1,2-c)pyridine, 2,3,4,4a,5,9b-hexahydro-2-ethyl-7-methyl-5-p-tolyl-, hydrochloride, (4ars,5rs,9brs)-","c12c(C(c3ccc(C)cc3)C3C1CN(CC)CC3)cc(C)cc2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes|SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","No alert found","No alert found","No alert found","No alert found"]
["67110-84-3","1h-indeno(1,2-c)pyridine, 2,3,4,4a,5,9b-hexahydro-2-ethyl-7-methyl-5-p-tolyl-, hydrochloride, (4ars,5rs,9brs)-","c12c(C(c3ccc(C)cc3)C3C1CN(CC)CC3)cc(C)cc2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes|SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","No alert found","No alert found","No alert found","No alert found"]
["67110-84-3","1h-indeno(1,2-c)pyridine, 2,3,4,4a,5,9b-hexahydro-2-ethyl-7-methyl-5-p-tolyl-, hydrochloride, (4ars,5rs,9brs)-","c12c(C(c3ccc(C)cc3)C3C1CN(CC)CC3)cc(C)cc2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes|SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","No alert found","No alert found","No alert found","No alert found"]
["67410-22-4","benzo(h)quinoline, 2-amino-","c12c(c3c(ccc(N)n3)cc1)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Heterocyclic Polycyclic Aromatic Hydrocarbons|Primary aromatic amine,hydroxyl amine and its derived esters","Heterocyclic Polycyclic Aromatic Hydrocarbons|Primary aromatic amine, hydroxyl amine and its derived esters"]
["68099-35-4","2,2',5,5'-tetrachlorobiphenyl 3,4-oxide","C1(c2c(Cl)ccc(Cl)c2)=C(Cl)C2C(C(Cl)=C1)O2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines","SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides","Epoxides and aziridines (Genotox)|Halogenated benzene (Nongenotox)|Monohaloalkene (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines","Epoxides and aziridines|Monohaloalkene","Epoxides and aziridines|Monohaloalkene"]
["68099-35-4","2,2',5,5'-tetrachlorobiphenyl 3,4-oxide","C1(c2c(Cl)ccc(Cl)c2)=C(Cl)C2C(C(Cl)=C1)O2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines","SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides","Epoxides and aziridines (Genotox)|Halogenated benzene (Nongenotox)|Monohaloalkene (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines","Epoxides and aziridines|Monohaloalkene","Epoxides and aziridines|Monohaloalkene"]
["68099-35-4","2,2',5,5'-tetrachlorobiphenyl 3,4-oxide","C1(c2c(Cl)ccc(Cl)c2)=C(Cl)C2C(C(Cl)=C1)O2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines","SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides","Epoxides and aziridines (Genotox)|Halogenated benzene (Nongenotox)|Monohaloalkene (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines","Epoxides and aziridines|Monohaloalkene","Epoxides and aziridines|Monohaloalkene"]
["68099-35-4","2,2',5,5'-tetrachlorobiphenyl 3,4-oxide","C1(c2c(Cl)ccc(Cl)c2)=C(Cl)C2C(C(Cl)=C1)O2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines","SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides","Epoxides and aziridines (Genotox)|Halogenated benzene (Nongenotox)|Monohaloalkene (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines","Epoxides and aziridines|Monohaloalkene","Epoxides and aziridines|Monohaloalkene"]
["68688-84-6","3-methylcholanthrene-cis-2a,3-diol;benz(j)aceanthrylene-2a,3(3h)-diol, 1,2-dihydro-3-methyl-, cis-","C1(C)(O)C2(O)c3c(c4c(c5c(cccc5)cc4)cc3C=C1)CC2","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1","Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons","H-acceptor-path3-H-acceptor|Polycyclic Aromatic Hydrocarbons"]
["68688-86-8","3-methylcholanthrene-trans-7,8-dihydrodiol;benz(j)aceanthrylene-7,8-diol, 1,2,7,8-tetrahydro-3-methyl-, trans-","c1(C)c2c3c(c4c(c5c(C=CC(O)C5O)cc4)cc3cc1)CC2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","No alert found","No alert found","Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Polycyclic Aromatic Hydrocarbons","H-acceptor-path3-H-acceptor|Polycyclic Aromatic Hydrocarbons"]
["68688-87-9","cholanthrene-9,10-diol, 9,10-dihydro-3-methyl-, (e)-;trans-9,10-dihydro-9,10-dihydroxy-3-methylcholanthrene","c1(C)c2c3c(c4c(c5c(C(O)C(O)C=C5)cc4)cc3cc1)CC2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","No alert found","No alert found","Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Polycyclic Aromatic Hydrocarbons","H-acceptor-path3-H-acceptor|Polycyclic Aromatic Hydrocarbons"]
["61734-87-0","1-butanol, 4-((1,1-dimethylethyl)nitrosoamino)-","C(C)(C)(C)N(CCCCO)N=O","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2","Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","Alkyl and aryl N-nitroso groups","Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor"]
["61734-88-1","n-ethyl-n-(3-hydroxypropyl)nitrosamine;propanol, 3-(ethylnitrosoamino)-","C(O)CCN(CC)N=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2","Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","Alkyl and aryl N-nitroso groups","Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor"]
["62018-88-6","1-butanol, 4-(nitrosophenylamino)-","c1(N(CCCCO)N=O)ccccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2","Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","Alkyl and aryl N-nitroso groups","Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor"]
["62018-91-1","1,3-butanediol, 4-(butylnitrosoamino)-","C(O)(CCO)CN(CCCC)N=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2","Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds","Alkyl and aryl N-nitroso groups","Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor"]
["27354-18-3","9,10-anthracenedione, 1-[(1-methylethyl)amino]-;1-[(1-methylethyl)amino]anthraquinone;1-(propan-2-ylamino)anthracene-9,10-dione;9,10-anthracenedione, 1-((1-methylethyl)amino)-","c12C(=O)c3c(C(=O)c1c(NC(C)C)ccc2)cccc3","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Secondary aromatic amine","Quinones (Genotox)|Structural alert for genotoxic carcinogenicity","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones","Quinones","H-acceptor-path3-H-acceptor|Quinones"]
["60197-67-3","9,10-anthracenedione, 1-hydroxy-2-(beta-d-tetraacetylglucopyranosyloxy)","c12C(=O)c3c(C(=O)c1c(O)c(OC1C(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(OC(C)=O)O1)cc2)cccc3","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Specific Acetate Esters|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Specific Acetate Esters|SN2|SN2 >> Acylating agents|SN2 >> Acylating agents >> Specific Acetate Esters|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Specific Acetate Esters","No alert found","Quinones (Genotox)|Structural alert for genotoxic carcinogenicity","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Specific Acetate Esters|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Specific Acetate Esters|SN2|SN2 >> Acylating agents|SN2 >> Acylating agents >> Specific Acetate Esters|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Specific Acetate Esters","Quinones","H-acceptor-path3-H-acceptor|Quinones"]
["60197-68-4","9,10-anthracenedione, 8-hydroxy-1-(beta-d-tetraacetylglucopyranosyloxy)","c12C(=O)c3c(C(=O)c1c(O)c(OC1C(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(OC(C)=O)O1)cc2)c(O)ccc3","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,{"$nulls":3},"Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Specific Acetate Esters|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Specific Acetate Esters|SN2|SN2 >> Acylating agents|SN2 >> Acylating agents >> Specific Acetate Esters|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Specific Acetate Esters","No alert found","Quinones (Genotox)|Structural alert for genotoxic carcinogenicity","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Specific Acetate Esters|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Specific Acetate Esters|SN2|SN2 >> Acylating agents|SN2 >> Acylating agents >> Specific Acetate Esters|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Specific Acetate Esters","Quinones","H-acceptor-path3-H-acceptor|Quinones"]
["69658-17-9","7h-benz(de)anthracen-7-one, 3,9-dihydroxy-","c12C(=O)c3c(-c4c1c(c(O)cc4)ccc2)ccc(O)c3","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","No alert found"]
["363-49-5","acetamide, n-(7-hydroxy-9h-fluoren-2-yl)-;acetamide, n-(7-hydroxyfluoren-2-yl)- (8ci)","c12-c3c(cc(NC(C)=O)cc3)Cc1cc(O)cc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","No alert found","No alert found","Aromatic N-acyl amine (Genotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Aromatic N-acyl amine|Polycyclic Aromatic Hydrocarbons","Aromatic N-acyl amine|H-acceptor-path3-H-acceptor|Polycyclic Aromatic Hydrocarbons"]
["523-87-5","dimenhydrinate;8-chloro-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione - 2-(diphenylmethoxy)-n,n-dimethylethanamine (1:1);1h-purine-2,6-dione, 8-chloro-3,7-dihydro-1,3-dimethyl-, compound with 2-(diphenylmethoxy)-n,n-dimethylethanamine (1:1);dimenhydrinate [inn:ban:jan]","C1(=O)C2=C(N(C)C(=O)N1C)NC(Cl)=N2_c1(C(c2ccccc2)OCCN(C)C)ccccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 97","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found|SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes|SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","Imidazole, benzimidazole (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found|SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives","No alert found","H-acceptor-path3-H-acceptor"]
["523-87-5","dimenhydrinate;8-chloro-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione - 2-(diphenylmethoxy)-n,n-dimethylethanamine (1:1);1h-purine-2,6-dione, 8-chloro-3,7-dihydro-1,3-dimethyl-, compound with 2-(diphenylmethoxy)-n,n-dimethylethanamine (1:1);dimenhydrinate [inn:ban:jan]","C1(=O)C2=C(N(C)C(=O)N1C)NC(Cl)=N2_c1(C(c2ccccc2)OCCN(C)C)ccccc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found|SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes|SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","Imidazole, benzimidazole (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found|SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives","No alert found","H-acceptor-path3-H-acceptor"]
["523-87-5","dimenhydrinate;8-chloro-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione - 2-(diphenylmethoxy)-n,n-dimethylethanamine (1:1);1h-purine-2,6-dione, 8-chloro-3,7-dihydro-1,3-dimethyl-, compound with 2-(diphenylmethoxy)-n,n-dimethylethanamine (1:1);dimenhydrinate [inn:ban:jan]","C1(=O)C2=C(N(C)C(=O)N1C)NC(Cl)=N2_c1(C(c2ccccc2)OCCN(C)C)ccccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found|SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes|SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines","Imidazole, benzimidazole (Nongenotox)|Structural alert for nongenotoxic carcinogenicity","No alert found|SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives","No alert found","H-acceptor-path3-H-acceptor"]
["7206-76-0","phenylethylmalonamide","C(N)(=O)C(c1ccccc1)(C(N)=O)CC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality, Conflict","NO","P&G","No","without S9",null,"TA 97","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["7206-76-0","phenylethylmalonamide","C(N)(=O)C(c1ccccc1)(C(N)=O)CC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality, Conflict","NO","P&G","No","without S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["7206-76-0","phenylethylmalonamide","C(N)(=O)C(c1ccccc1)(C(N)=O)CC","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality, Conflict","NO","P&G","No","without S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["7206-76-0","phenylethylmalonamide","C(N)(=O)C(c1ccccc1)(C(N)=O)CC","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality, Conflict","NO","P&G","No","without S9",null,"TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["952-21-6","1,1'-biphenyl, 3-methyl-4'-nitro-","c1(-c2cc(C)ccc2)ccc(N(=O)=O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","P&G","No","without S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro","Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","Nitro-aromatic","Nitro-aromatic"]
["952-21-6","1,1'-biphenyl, 3-methyl-4'-nitro-","c1(-c2cc(C)ccc2)ccc(N(=O)=O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","P&G","No","without S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro","Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","Nitro-aromatic","Nitro-aromatic"]
["52551-67-4","hc yellow 4;2-[bis(2-hydroxyethyl)amino]-5-nitrophenol;phenol, 2-[bis(2-hydroxyethyl)amino]-5-nitro-","c1(N(CCO)CCO)c(O)cc(N(=O)=O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine","Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","Nitro-aromatic","H-acceptor-path3-H-acceptor|Nitro-aromatic"]
["52551-67-4","hc yellow 4;2-[bis(2-hydroxyethyl)amino]-5-nitrophenol;phenol, 2-[bis(2-hydroxyethyl)amino]-5-nitro-","c1(N(CCO)CCO)c(O)cc(N(=O)=O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine","Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","Nitro-aromatic","H-acceptor-path3-H-acceptor|Nitro-aromatic"]
["52551-67-4","hc yellow 4;2-[bis(2-hydroxyethyl)amino]-5-nitrophenol;phenol, 2-[bis(2-hydroxyethyl)amino]-5-nitro-","c1(N(CCO)CCO)c(O)cc(N(=O)=O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","P&G","No","without S9",null,"TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine","Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","Nitro-aromatic","H-acceptor-path3-H-acceptor|Nitro-aromatic"]
["69314-47-2","biphenyl, 3-methyl-4-nitro-;3-methyl-4-nitro-biphenyl","c1(-c2cc(C)c(N(=O)=O)cc2)ccccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","P&G","No","without S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro","Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","Nitro-aromatic","Nitro-aromatic"]
["69314-47-2","biphenyl, 3-methyl-4-nitro-;3-methyl-4-nitro-biphenyl","c1(-c2cc(C)c(N(=O)=O)cc2)ccccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","P&G","No","without S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro","Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","Nitro-aromatic","Nitro-aromatic"]
["92814-28-3","4-ethyl-3-nitrobiphenyl","c1(-c2cc(CC)c(N(=O)=O)cc2)ccccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","P&G","No","without S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro","Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","Nitro-aromatic","Nitro-aromatic"]
["92814-28-3","4-ethyl-3-nitrobiphenyl","c1(-c2cc(CC)c(N(=O)=O)cc2)ccccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","P&G","No","without S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro","Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","Nitro-aromatic","Nitro-aromatic"]
["108100-28-3","9h-fluorene, 2-methyl-7-nitro-","c12-c3c(cc(C)cc3)Cc1cc(N(=O)=O)cc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","P&G","No","without S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro","Nitro-aromatic (Genotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","Nitro-aromatic|Polycyclic Aromatic Hydrocarbons","Nitro-aromatic|Polycyclic Aromatic Hydrocarbons"]
["108100-28-3","9h-fluorene, 2-methyl-7-nitro-","c12-c3c(cc(C)cc3)Cc1cc(N(=O)=O)cc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","P&G","No","without S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro","Nitro-aromatic (Genotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","Nitro-aromatic|Polycyclic Aromatic Hydrocarbons","Nitro-aromatic|Polycyclic Aromatic Hydrocarbons"]
["127502-68-5","2-isopropyl-4-phenylnitrobenzene;3-isopropyl-4-nitro-biphenyl","c1(-c2cc(C(C)C)c(N(=O)=O)cc2)ccccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","P&G","No","without S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro","Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","Nitro-aromatic","Nitro-aromatic"]
["127502-68-5","2-isopropyl-4-phenylnitrobenzene;3-isopropyl-4-nitro-biphenyl","c1(-c2cc(C(C)C)c(N(=O)=O)cc2)ccccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","P&G","No","without S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro","Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","Nitro-aromatic","Nitro-aromatic"]
["275795-12-5","1,1'-biphenyl, 3,5-diethyl-4-nitro-;\"\"3,5-diethyl-4-nitro-biphenyl\"\"\"","c1(-c2cc(CC)c(N(=O)=O)c(CC)c2)ccccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","P&G","No","without S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","No alert found","No alert found","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","No alert found","No alert found"]
["275795-12-5","1,1'-biphenyl, 3,5-diethyl-4-nitro-;\"\"3,5-diethyl-4-nitro-biphenyl\"\"\"","c1(-c2cc(CC)c(N(=O)=O)c(CC)c2)ccccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","P&G","No","without S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","No alert found","No alert found","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","No alert found","No alert found"]
["279242-09-0","1,1'-biphenyl, 4-ethyl-4'-nitro-","c1(-c2ccc(CC)cc2)ccc(N(=O)=O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","P&G","No","without S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro","Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","Nitro-aromatic","Nitro-aromatic"]
["279242-09-0","1,1'-biphenyl, 4-ethyl-4'-nitro-","c1(-c2ccc(CC)cc2)ccc(N(=O)=O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","P&G","No","without S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro","Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","Nitro-aromatic","Nitro-aromatic"]
["279242-16-9","pyridine, 2-[4-(1,1-dimethylethyl)phenyl]-5-nitro-","C(C)(C)(C)c1ccc(-c2ccc(N(=O)=O)cn2)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","P&G","No","without S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro","Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Nitro-aromatic","H-acceptor-path3-H-acceptor|Nitro-aromatic"]
["279242-16-9","pyridine, 2-[4-(1,1-dimethylethyl)phenyl]-5-nitro-","C(C)(C)(C)c1ccc(-c2ccc(N(=O)=O)cn2)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","P&G","No","without S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro","Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Nitro-aromatic","H-acceptor-path3-H-acceptor|Nitro-aromatic"]
["345667-01-8","3-(1,1-dimethylethyl)-n-hydroxy-[1,1'-biphenyl]-4-amine;[1,1'-biphenyl]-4-amine, 3-(1,1-dimethylethyl)-n-hydroxy-;3-(1,1-dimethylethyl)-n-hydroxy-(1,1'-biphenyl)-4-amine","C(C)(C)(C)c1c(NO)ccc(-c2ccccc2)c1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","P&G","No","without S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> N-hydroxylamines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic N-hydroxylamines","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> N-hydroxylamines","Primary aromatic amine,hydroxyl amine and its derived esters","H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters"]
["345667-01-8","3-(1,1-dimethylethyl)-n-hydroxy-[1,1'-biphenyl]-4-amine;[1,1'-biphenyl]-4-amine, 3-(1,1-dimethylethyl)-n-hydroxy-;3-(1,1-dimethylethyl)-n-hydroxy-(1,1'-biphenyl)-4-amine","C(C)(C)(C)c1c(NO)ccc(-c2ccccc2)c1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","P&G","No","without S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> N-hydroxylamines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic N-hydroxylamines","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> N-hydroxylamines","Primary aromatic amine,hydroxyl amine and its derived esters","H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters"]
["345667-02-9","4'-(1,1-dimethylethyl)-n-hydroxy-[1,1'-biphenyl]-4-amine;[1,1'-biphenyl]-4-amine, 4'-(1,1-dimethylethyl)-n-hydroxy-;4'-(1,1-dimethylethyl)-n-hydroxy-(1,1'-biphenyl)-4-amine","C(C)(C)(C)c1ccc(-c2ccc(NO)cc2)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","P&G","No","without S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> N-hydroxylamines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic N-hydroxylamines","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> N-hydroxylamines","Primary aromatic amine,hydroxyl amine and its derived esters","H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters"]
["345667-02-9","4'-(1,1-dimethylethyl)-n-hydroxy-[1,1'-biphenyl]-4-amine;[1,1'-biphenyl]-4-amine, 4'-(1,1-dimethylethyl)-n-hydroxy-;4'-(1,1-dimethylethyl)-n-hydroxy-(1,1'-biphenyl)-4-amine","C(C)(C)(C)c1ccc(-c2ccc(NO)cc2)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","P&G","No","without S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> N-hydroxylamines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic N-hydroxylamines","Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> N-hydroxylamines","Primary aromatic amine,hydroxyl amine and its derived esters","H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters"]
["345667-60-9","trans-4'-ethyl-4-nitrostilbene;benzene, 1-ethyl-4-[(1e)-2-(4-nitrophenyl)ethenyl]-","c1(C=Cc2ccc(CC)cc2)ccc(N(=O)=O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","P&G","No","without S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro","Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","Nitro-aromatic","Nitro-aromatic"]
["345667-60-9","trans-4'-ethyl-4-nitrostilbene;benzene, 1-ethyl-4-[(1e)-2-(4-nitrophenyl)ethenyl]-","c1(C=Cc2ccc(CC)cc2)ccc(N(=O)=O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","P&G","No","without S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro","Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds","Nitro-aromatic","Nitro-aromatic"]
["389104-57-8","1-isopropyl-2-aminofluorene;1-isopropyl-9h-fluoren-2-ylamine","c12-c3c(c(C(C)C)c(N)cc3)Cc1cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","P&G","No","without S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Polycyclic Aromatic Hydrocarbons (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Polycyclic Aromatic Hydrocarbons|Primary aromatic amine,hydroxyl amine and its derived esters","Polycyclic Aromatic Hydrocarbons|Primary aromatic amine, hydroxyl amine and its derived esters"]
["389104-57-8","1-isopropyl-2-aminofluorene;1-isopropyl-9h-fluoren-2-ylamine","c12-c3c(c(C(C)C)c(N)cc3)Cc1cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","P&G","No","without S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines","SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine","Polycyclic Aromatic Hydrocarbons (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Polycyclic Aromatic Hydrocarbons|Primary aromatic amine,hydroxyl amine and its derived esters","Polycyclic Aromatic Hydrocarbons|Primary aromatic amine, hydroxyl amine and its derived esters"]
["3342-98-1","benz[j]aceanthrylen-1-ol, 1,2-dihydro-3-methyl-;1,2-dihydro-3-methylbenz(j)aceanthrylen- 1-ol","c12c(c3c(c4c5c(c(C)ccc5c3)CC4O)cc1)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1","Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons"]
["10254-99-6","anthraquinone, 2-hexanoyl-1,3,6,8-tetrahydroxy-","c12C(=O)c3c(C(=O)c1c(O)c(C(=O)CCCCC)c(O)c2)c(O)cc(O)c3","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones","No alert found","Quinones (Genotox)|Structural alert for genotoxic carcinogenicity","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones","Quinones","H-acceptor-path3-H-acceptor|Quinones"]
["14016-29-6","averufin","c12C(=O)c3c(C(=O)c1c(O)c1c(c2)OC2(C)CCCC1O2)c(O)cc(O)c3","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones","No alert found","Quinones (Genotox)|Structural alert for genotoxic carcinogenicity","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones","Quinones","H-acceptor-path3-H-acceptor|Quinones"]
["16110-14-8","benz(a)anthracene-8,9-diol, 8,9-dihydro-7-methyl-","c12c(c3c(c(C)c4c(C=CC(O)C4O)c3)cc1)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1","Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons","Polycyclic Aromatic Hydrocarbons","H-acceptor-path3-H-acceptor|Polycyclic Aromatic Hydrocarbons"]
["17878-54-5","aflatoxin b2a;[6as-(6a?,8?,9a?)]-2,3,6a,8,9a-hexahydro-8-hydroxy-4-methoxycyclopenta[c]furo[3',2':4,5]furo[2,3-h][1]benzopyran-1,11-dione","C1(=O)C2C(=O)CCC=2c2c(c3c(cc2OC)OC2C3CC(O)O2)O1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","Radical|Radical >> Generation of reactive oxygen species|Radical >> Generation of reactive oxygen species >> Coumarins|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Coumarins","No alert found","Coumarins and Furocoumarins (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Coumarins and Furocoumarins","1,3-dialkoxy-benzene|Coumarins and Furocoumarins|H-acceptor-path3-H-acceptor|Oxolane"]
["20421-10-7","aflatoxin g2a;3,4,7a,9,10,10a-hexahydro-9-hydroxy-5-methoxy-1h,12h-furo[3',2':4,5]furo[2,3-h]pyrano[3,4-c][1]benzopyran-1,12-dione;9-hydroxy-5-methoxy-3,4,7a,9,10,10a-hexahydro-1h,12h-furo[3',2':4,5]furo[2,3-h]pyrano[3,4-c]chromene-1,12-dione","C1(=O)C2C(=O)Oc3c4c(cc(OC)c3C=2CCO1)OC1C4CC(O)O1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","Radical|Radical >> Generation of reactive oxygen species|Radical >> Generation of reactive oxygen species >> Coumarins|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Coumarins","No alert found","Coumarins and Furocoumarins (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Coumarins and Furocoumarins","1,3-dialkoxy-benzene|Coumarins and Furocoumarins|H-acceptor-path3-H-acceptor|Oxolane"]
["32215-02-4","aflatoxin p1","C1(=O)C2C(=O)CCC=2c2c(c3c(cc2O)OC2C3C=CO2)O1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","Radical|Radical >> Generation of reactive oxygen species|Radical >> Generation of reactive oxygen species >> Coumarins|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Coumarins","No alert found","Coumarins and Furocoumarins (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Coumarins and Furocoumarins","1,3-dialkoxy-benzene|Coumarins and Furocoumarins|H-acceptor-path3-H-acceptor"]
["52021-61-1","2-anthraceneacetaldehyde, 9,10-dihydro-alpha-(2-(acetyloxy)ethyl)-9,10-dioxo-1,3,6,8-tetrahydroxy-","c12C(=O)c3c(C(=O)c1c(O)c(C(C=O)CCOC(C)=O)c(O)c2)c(O)cc(O)c3","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Specific Acetate Esters|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Specific Acetate Esters|SN2|SN2 >> Acylating agents|SN2 >> Acylating agents >> Specific Acetate Esters|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Specific Acetate Esters","Schiff base formers|Schiff base formers >> Direct Acting Schiff Base Formers|Schiff base formers >> Direct Acting Schiff Base Formers >> Mono aldehydes","Quinones (Genotox)|Simple aldehyde (Genotox)|Structural alert for genotoxic carcinogenicity","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones","Quinones|Simple aldehyde","H-acceptor-path3-H-acceptor|Quinones|Simple aldehyde"]
["55446-27-0","cyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-11(1h)-one, 2,3,6a,9a-tetrahydro-1,3-dihydroxy-4-methoxy-","C12c3c(c4c(cc3OC)OC3C4C=CO3)OC(=O)C=1C(O)CC2O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","Radical|Radical >> Generation of reactive oxygen species|Radical >> Generation of reactive oxygen species >> Coumarins|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Coumarins","No alert found","Coumarins and Furocoumarins (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Coumarins and Furocoumarins","1,3-dialkoxy-benzene|Coumarins and Furocoumarins|H-acceptor-path3-H-acceptor"]
["62641-69-4","benz(a)anthracene-1,2-diol, 1,2-dihydro-7-methyl-","c12c(c(C)c3c(c4c(C=CC(O)C4O)cc3)c1)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition","Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Polycyclic Aromatic Hydrocarbons","H-acceptor-path3-H-acceptor|Polycyclic Aromatic Hydrocarbons"]
["62641-70-7","benz(a)anthracene, 3,4-dihydro-3,4-dihydroxy-7-methyl-","c12c(c(C)c3c(c4c(C(O)C(O)C=C4)cc3)c1)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","No alert found","Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition","Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity","No alert found","Polycyclic Aromatic Hydrocarbons","H-acceptor-path3-H-acceptor|Polycyclic Aromatic Hydrocarbons"]
["65222-75-5","1-naphthacenecarboxylic acid, 1,2,3,4,6,11-hexahydro-6,11-dioxo-2-ethyl-4-((2,3,6-trideoxy-3-amino-alpha-l-lyxo-hexopyranosyl)oxy)-2,5,7-trihydroxy-, methyl ester, (1r-(1-alpha,2-beta,4-beta))","c12C(=O)c3c(C(=O)c1c(O)c1c(C(C(=O)OC)C(O)(CC)CC1OC1CC(NC)C(O)C(C)O1)c2)c(O)ccc3","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones","No alert found","Quinones (Genotox)|Structural alert for genotoxic carcinogenicity","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones","Quinones","H-acceptor-path3-H-acceptor|Quinones"]
["67508-84-3","1-naphthacenecarboxylic acid, 2-ethyl-1,2,3,4,6,11-hexahydro-6,11-dioxo-4-((o-2,3,6-trideoxy-alpha-l-glycero-hexopyranos-4-ulos-1-yl(1-4)-o-2,6-dideoxy-alpha-l-lyxo-hexopyranosyl-(1-4)-2,3,6-t","c12C(=O)c3c(C(=O)c1c(O)c1c(C(C(=O)OC)C(O)(CC)CC1OC1CC(N)C(OC4CC(O)C(OC5CCC(=O)C(C)O5)C(C)O4)C(C)O1)c2)c(O)ccc3","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones","No alert found","Quinones (Genotox)|Structural alert for genotoxic carcinogenicity","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones","Quinones","H-acceptor-path3-H-acceptor|Quinones"]
["67508-85-4","1-naphthacenecarboxylic acid, 1,2,3,4,6,11-hexahydro-4-((3-amino-2,3,6-trideoxy-alpha-l-lyxo-hexopyranosyl)oxy)-6,11-dioxo-2-ethyl-2,5,7-trihydroxy-, methyl ester, (1r-(1 alpha,2-beta,4-beta));1-naphthacenecarboxylic acid, 1,2,3,4,6,11-hexahydro-4-((3-amino-2,3,6-trideoxy-alpha-l-lyxo-hexopyranosyl)oxy)-6,11-dioxo-2-ethyl-2,5,7-trihydroxy-, methyl ester, (1r-(1-alpha,2-beta,4-beta))-","c12C(=O)c3c(C(=O)c1c(O)c1c(C(C(=O)OC)C(O)(CC)CC1OC1CC(N)C(O)C(C)O1)c2)c(O)ccc3","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","Low Quality","NO","U.S. Environmental Protection Agency","No","with S9","Mutation Research, 168 (1996) 69-240","TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",1996,null,null,"Source of metabolic system - rat","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones","No alert found","Quinones (Genotox)|Structural alert for genotoxic carcinogenicity","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones","Quinones","H-acceptor-path3-H-acceptor|Quinones"]
["7456-68-0","4,4'-oxydibenzenesulfonylazide;benzenesulfonyl azide, 4,4'-oxybis-","c1(S(=O)(=O)N=N#N)ccc(Oc2ccc(S(=O)(=O)N=N#N)cc2)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","NO",null,"No","without S9","Additional List of Monomers and Additives for Food Contact Materials, Scientific Committee on Food, European Commission, Health&Consumer Protection Directorate General, 13 November 2000, http://ec.europa.eu/food/fs/sc/scf/out76_en.pdf","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",2000,{"$nulls":3},"SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Sulfonyl Azides","No alert found","Azide and triazene groups (Genotox)|Structural alert for genotoxic carcinogenicity","SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Sulfonyl Azides","Azide and triazene groups","1-phenoxy-benzene|Azide and triazene groups|H-acceptor-path3-H-acceptor"]
["2150-54-1","c.i. direct blue 25;c.i. 23790;tetrasodium 3,3'-[(3,3'-dimethyl[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[4,5-dihydroxynaphthalene-2,7-disulphonate];2,7-naphthalenedisulfonic acid, 3,3'-[(3,3'-dimethyl[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[4,5-dihydroxy-, tetrasodium salt;tetrasodium 3,3'-[(3,3'-dimethylbiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis(4,5-dihydroxynaphthalene-2,7-disulfonate)","c1(-c2cc(C)c(N=Nc3c(O)c4c(O)cc(S(=O)(=O)O{-}.[Na]{+})cc4cc3S(=O)(=O)O{-}.[Na]{+})cc2)cc(C)c(N=Nc2c(O)c3c(O)cc(S(=O)(=O)O{-}.[Na]{+})cc3cc2S(=O)(=O)O{-}.[Na]{+})cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","YES","P&G","No","with S9",null,"TA 97","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["2150-54-1","c.i. direct blue 25;c.i. 23790;tetrasodium 3,3'-[(3,3'-dimethyl[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[4,5-dihydroxynaphthalene-2,7-disulphonate];2,7-naphthalenedisulfonic acid, 3,3'-[(3,3'-dimethyl[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[4,5-dihydroxy-, tetrasodium salt;tetrasodium 3,3'-[(3,3'-dimethylbiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis(4,5-dihydroxynaphthalene-2,7-disulfonate)","c1(-c2cc(C)c(N=Nc3c(O)c4c(O)cc(S(=O)(=O)O{-}.[Na]{+})cc4cc3S(=O)(=O)O{-}.[Na]{+})cc2)cc(C)c(N=Nc2c(O)c3c(O)cc(S(=O)(=O)O{-}.[Na]{+})cc3cc2S(=O)(=O)O{-}.[Na]{+})cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","YES","P&G","No","with S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["2150-54-1","c.i. direct blue 25;c.i. 23790;tetrasodium 3,3'-[(3,3'-dimethyl[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[4,5-dihydroxynaphthalene-2,7-disulphonate];2,7-naphthalenedisulfonic acid, 3,3'-[(3,3'-dimethyl[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[4,5-dihydroxy-, tetrasodium salt;tetrasodium 3,3'-[(3,3'-dimethylbiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis(4,5-dihydroxynaphthalene-2,7-disulfonate)","c1(-c2cc(C)c(N=Nc3c(O)c4c(O)cc(S(=O)(=O)O{-}.[Na]{+})cc4cc3S(=O)(=O)O{-}.[Na]{+})cc2)cc(C)c(N=Nc2c(O)c3c(O)cc(S(=O)(=O)O{-}.[Na]{+})cc3cc2S(=O)(=O)O{-}.[Na]{+})cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","YES","P&G","No","with S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["2150-54-1","c.i. direct blue 25;c.i. 23790;tetrasodium 3,3'-[(3,3'-dimethyl[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[4,5-dihydroxynaphthalene-2,7-disulphonate];2,7-naphthalenedisulfonic acid, 3,3'-[(3,3'-dimethyl[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[4,5-dihydroxy-, tetrasodium salt;tetrasodium 3,3'-[(3,3'-dimethylbiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis(4,5-dihydroxynaphthalene-2,7-disulfonate)","c1(-c2cc(C)c(N=Nc3c(O)c4c(O)cc(S(=O)(=O)O{-}.[Na]{+})cc4cc3S(=O)(=O)O{-}.[Na]{+})cc2)cc(C)c(N=Nc2c(O)c3c(O)cc(S(=O)(=O)O{-}.[Na]{+})cc3cc2S(=O)(=O)O{-}.[Na]{+})cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","YES","P&G","No","with S9",null,"TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["2150-54-1","c.i. direct blue 25;c.i. 23790;tetrasodium 3,3'-[(3,3'-dimethyl[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[4,5-dihydroxynaphthalene-2,7-disulphonate];2,7-naphthalenedisulfonic acid, 3,3'-[(3,3'-dimethyl[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[4,5-dihydroxy-, tetrasodium salt;tetrasodium 3,3'-[(3,3'-dimethylbiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis(4,5-dihydroxynaphthalene-2,7-disulfonate)","c1(-c2cc(C)c(N=Nc3c(O)c4c(O)cc(S(=O)(=O)O{-}.[Na]{+})cc4cc3S(=O)(=O)O{-}.[Na]{+})cc2)cc(C)c(N=Nc2c(O)c3c(O)cc(S(=O)(=O)O{-}.[Na]{+})cc3cc2S(=O)(=O)O{-}.[Na]{+})cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","YES","P&G","No","with S9",null,"TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["2150-54-1","c.i. direct blue 25;c.i. 23790;tetrasodium 3,3'-[(3,3'-dimethyl[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[4,5-dihydroxynaphthalene-2,7-disulphonate];2,7-naphthalenedisulfonic acid, 3,3'-[(3,3'-dimethyl[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[4,5-dihydroxy-, tetrasodium salt;tetrasodium 3,3'-[(3,3'-dimethylbiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis(4,5-dihydroxynaphthalene-2,7-disulfonate)","c1(-c2cc(C)c(N=Nc3c(O)c4c(O)cc(S(=O)(=O)O{-}.[Na]{+})cc4cc3S(=O)(=O)O{-}.[Na]{+})cc2)cc(C)c(N=Nc2c(O)c3c(O)cc(S(=O)(=O)O{-}.[Na]{+})cc3cc2S(=O)(=O)O{-}.[Na]{+})cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","YES","Kazius J, McGuire R., Bursi R","No","No S9 info","Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25","No strain info","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",null,"No information for Salmonella thyphimurium strain and S9 metabolic activation","Derivation and validation of toxicophores for mutagenicity prediction",null,"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["2150-54-1","c.i. direct blue 25;c.i. 23790;tetrasodium 3,3'-[(3,3'-dimethyl[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[4,5-dihydroxynaphthalene-2,7-disulphonate];2,7-naphthalenedisulfonic acid, 3,3'-[(3,3'-dimethyl[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[4,5-dihydroxy-, tetrasodium salt;tetrasodium 3,3'-[(3,3'-dimethylbiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis(4,5-dihydroxynaphthalene-2,7-disulfonate)","c1(-c2cc(C)c(N=Nc3c(O)c4c(O)cc(S(=O)(=O)O{-}.[Na]{+})cc4cc3S(=O)(=O)O{-}.[Na]{+})cc2)cc(C)c(N=Nc2c(O)c3c(O)cc(S(=O)(=O)O{-}.[Na]{+})cc3cc2S(=O)(=O)O{-}.[Na]{+})cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","YES","P&G","No","with S9",null,"TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":3},"Source of metabolic system - rat","No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["2150-54-1","c.i. direct blue 25;c.i. 23790;tetrasodium 3,3'-[(3,3'-dimethyl[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[4,5-dihydroxynaphthalene-2,7-disulphonate];2,7-naphthalenedisulfonic acid, 3,3'-[(3,3'-dimethyl[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[4,5-dihydroxy-, tetrasodium salt;tetrasodium 3,3'-[(3,3'-dimethylbiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis(4,5-dihydroxynaphthalene-2,7-disulfonate)","c1(-c2cc(C)c(N=Nc3c(O)c4c(O)cc(S(=O)(=O)O{-}.[Na]{+})cc4cc3S(=O)(=O)O{-}.[Na]{+})cc2)cc(C)c(N=Nc2c(O)c3c(O)cc(S(=O)(=O)O{-}.[Na]{+})cc3cc2S(=O)(=O)O{-}.[Na]{+})cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","YES","P&G","No","without S9",null,"TA 97","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["2150-54-1","c.i. direct blue 25;c.i. 23790;tetrasodium 3,3'-[(3,3'-dimethyl[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[4,5-dihydroxynaphthalene-2,7-disulphonate];2,7-naphthalenedisulfonic acid, 3,3'-[(3,3'-dimethyl[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[4,5-dihydroxy-, tetrasodium salt;tetrasodium 3,3'-[(3,3'-dimethylbiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis(4,5-dihydroxynaphthalene-2,7-disulfonate)","c1(-c2cc(C)c(N=Nc3c(O)c4c(O)cc(S(=O)(=O)O{-}.[Na]{+})cc4cc3S(=O)(=O)O{-}.[Na]{+})cc2)cc(C)c(N=Nc2c(O)c3c(O)cc(S(=O)(=O)O{-}.[Na]{+})cc3cc2S(=O)(=O)O{-}.[Na]{+})cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","YES","P&G","No","without S9",null,"TA 98","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["2150-54-1","c.i. direct blue 25;c.i. 23790;tetrasodium 3,3'-[(3,3'-dimethyl[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[4,5-dihydroxynaphthalene-2,7-disulphonate];2,7-naphthalenedisulfonic acid, 3,3'-[(3,3'-dimethyl[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[4,5-dihydroxy-, tetrasodium salt;tetrasodium 3,3'-[(3,3'-dimethylbiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis(4,5-dihydroxynaphthalene-2,7-disulfonate)","c1(-c2cc(C)c(N=Nc3c(O)c4c(O)cc(S(=O)(=O)O{-}.[Na]{+})cc4cc3S(=O)(=O)O{-}.[Na]{+})cc2)cc(C)c(N=Nc2c(O)c3c(O)cc(S(=O)(=O)O{-}.[Na]{+})cc3cc2S(=O)(=O)O{-}.[Na]{+})cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","YES","P&G","No","without S9",null,"TA 100","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["2150-54-1","c.i. direct blue 25;c.i. 23790;tetrasodium 3,3'-[(3,3'-dimethyl[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[4,5-dihydroxynaphthalene-2,7-disulphonate];2,7-naphthalenedisulfonic acid, 3,3'-[(3,3'-dimethyl[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[4,5-dihydroxy-, tetrasodium salt;tetrasodium 3,3'-[(3,3'-dimethylbiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis(4,5-dihydroxynaphthalene-2,7-disulfonate)","c1(-c2cc(C)c(N=Nc3c(O)c4c(O)cc(S(=O)(=O)O{-}.[Na]{+})cc4cc3S(=O)(=O)O{-}.[Na]{+})cc2)cc(C)c(N=Nc2c(O)c3c(O)cc(S(=O)(=O)O{-}.[Na]{+})cc3cc2S(=O)(=O)O{-}.[Na]{+})cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","YES","P&G","No","without S9",null,"TA 1535","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["2150-54-1","c.i. direct blue 25;c.i. 23790;tetrasodium 3,3'-[(3,3'-dimethyl[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[4,5-dihydroxynaphthalene-2,7-disulphonate];2,7-naphthalenedisulfonic acid, 3,3'-[(3,3'-dimethyl[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[4,5-dihydroxy-, tetrasodium salt;tetrasodium 3,3'-[(3,3'-dimethylbiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis(4,5-dihydroxynaphthalene-2,7-disulfonate)","c1(-c2cc(C)c(N=Nc3c(O)c4c(O)cc(S(=O)(=O)O{-}.[Na]{+})cc4cc3S(=O)(=O)O{-}.[Na]{+})cc2)cc(C)c(N=Nc2c(O)c3c(O)cc(S(=O)(=O)O{-}.[Na]{+})cc3cc2S(=O)(=O)O{-}.[Na]{+})cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","YES","P&G","No","without S9",null,"TA 1537","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]
["2150-54-1","c.i. direct blue 25;c.i. 23790;tetrasodium 3,3'-[(3,3'-dimethyl[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[4,5-dihydroxynaphthalene-2,7-disulphonate];2,7-naphthalenedisulfonic acid, 3,3'-[(3,3'-dimethyl[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[4,5-dihydroxy-, tetrasodium salt;tetrasodium 3,3'-[(3,3'-dimethylbiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis(4,5-dihydroxynaphthalene-2,7-disulfonate)","c1(-c2cc(C)c(N=Nc3c(O)c4c(O)cc(S(=O)(=O)O{-}.[Na]{+})cc4cc3S(=O)(=O)O{-}.[Na]{+})cc2)cc(C)c(N=Nc2c(O)c3c(O)cc(S(=O)(=O)O{-}.[Na]{+})cc3cc2S(=O)(=O)O{-}.[Na]{+})cc1","Negative",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Genotoxicity OASIS","High Quality","YES","P&G","No","without S9",null,"TA 1538","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro",{"$nulls":4},"No alert found","No alert found","No alert found","No alert found","No alert found","H-acceptor-path3-H-acceptor"]

{"sheet":"ISSCAN","index":3,"n_rows":387,"n_cols":35,"rows_kept":387}
["CAS","NAME","SMILES","Data","Unit","Duration","Endpoint","Endpoint description","Endpoint position","Database name","QA (CAS-2D)","Assigned SMILES","Author","Comment","Data from tautomer structure","Reference source","Synonyms","Test organisms (species)","Test type","Type of genotoxicity","Type of method","Year","CAS Tested Form","DNA binding by OASIS v.1.1","Score","DNA binding by OECD","Score","Carcinogenicity (genotox and nongenotox) alerts by ISS","Score","DNA alerts for AMES, MN and CA by OASIS v.1.1","Score","in vitro mutagenicity (Ames test) alerts by ISS","Score","in vivo mutagenicity (Micronucleus) alerts by ISS","Score"]
["67-20-9","nitrofurantoin;1-[(5-nitrofurfurylidene)amino]hydantoin;2,4-imidazolidinedione, 1-[[(5-nitro-2-furanyl)methylene]amino]-;1-{[(e)-(5-nitrofuran-2-yl)methylidene]amino}imidazolidine-2,4-dione;nitrofurantoin(inn);1-[[(5-nitro-2-furanyl)methylene]amino]-2,4-imidazolidinedione;1-{[(1e)-(5-nitrofuran-2-yl)methylidene]amino}imidazolidine-2,4-dione;2,4-imidazolidenedione, 1-(((5-nitro-2-furanyl)methylene)amino)-","C1(C=NN2C(=O)NC(=O)C2)=CC=C(N(=O)=O)O1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","N/A","YES","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP341","1-(((5-nitro-2-furanyl)methylene)amino)-2,4-imidazolidinedione; 1-(5-nitro-2-furfurylideneamino)hydantoin; 1-[(5-Nitrofurfurylidene)amino]hydantoin; benkfuran; berkfurin; chemiofuran; cyantin; cystit;||| dantafur; fua-med; furachel; furadantin; furadantoi","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",{"$f":"IF(X2=\"No alert found\",0,1)","v":1},"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Unsaturated heterocyclic nitro",{"$f":"IF(Z2=\"No alert found\",0,1)","v":1},"Hydrazine (Genotox)|Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",{"$f":"IF(AB2=\"No alert found\",0,1)","v":1},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",{"$f":"IF(AD2=\"No alert found\",0,1)","v":1},"Hydrazine|Nitro-aromatic",{"$f":"IF(AF2=\"No alert found\",0,1)","v":1},"H-acceptor-path3-H-acceptor|Hydrazine|Nitro-aromatic",{"$f":"IF(AH2=\"No alert found\",0,1)","v":1}]
["1836-75-5","benzene, 2,4-dichloro-1-(4-nitrophenoxy)-;nitrofen;ether, 2,4-dichlorophenyl p-nitrophenyl;2,4-dichloro-1-(4-nitrophenoxy)benzene;2,4-dichloro-1-[(4-nitrophenyl)oxy]benzene;nitrofen (nip);1836-75-5","c1(Oc2ccc(N(=O)=O)cc2)c(Cl)cc(Cl)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB & NTP184","2,4-Dichloro-1-(4-nitrophenoxy)benzene; 2',4'-dichloro-4-nitrodiphenyl ether; 2,4-dichloro-4'-nitrodiphenyl ether; 2,4-Dichlorophenyl p-nitrophenyl ether; 4-(2,4-dichlorophenoxy)nitrobenzene; 4'-nitro|||-2,4-dichlorodiphenyl ether; FW 925; mezotox; niclof","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"1-phenoxy-benzene|Nitro-aromatic",1]
["504-88-1","3-nitropropionic acid;3-nitro-propenoic acid;3-nitropropionic acid (3-npa);3-nitropropanoic acid;propanoic acid, 3-nitro- (9ci)","C(=O)(O)CCN(=O)=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP52","beta-nitropropionic acid; BNP; bovinocidin; hiptagenic acid.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["86-57-7","1-nitronaphthalene;nitronapthalene, 1-;nitronaphtalene, 1-;naphthalene, 1-nitro-","c1(N(=O)=O)c2c(cccc2)ccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP64","alpha-nitronaphthalene.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"Nitro-aromatic",1]
["619-17-0","4-nitroanthranilic acid;2-amino-4-nitrobenzoic acid;nitroanthranilic acid, 4-;benzoic acid, 2-amino-4-nitro-","C(=O)(O)c1c(N)cc(N(=O)=O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP109","2-amino-4-nitrobenzoic acid; 4-nitro-2-aminobenzoic acid.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["91-23-6","benzene, 1-methoxy-2-nitro-;o-nitroanizole;nitroanisole, 2-;o-nitroanisole;2-nitroanisole;ortho-nitroanisole;2-nitroanisole\"\";2-nitroanisole\";anisole, o-nitro-;1-methoxy-2-nitrobenzene;2nitroanisole;91-23-6","c1(OC)c(N(=O)=O)cccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP416","1-methoxy-2-nitrobenzene; 2-methoxynitrobenzene; 2-Nitroanisole; o-nitrophenyl methyl ether.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["94-52-0","1h-benzimidazole, 6-nitro-;5-nitrobenzimidazole;6-nitrobenzimidazole;5-nitro-1h-benzoimidazole;1h-benzimidazole, 5-nitro-;5-nitro-1h-benzimidazole;benzimidazole, 5-nitro- (8ci)","c12c(cc(N(=O)=O)cc1)N=CN2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP117","5(6)-nitrobenzimidazole; 5-nitro-1H-benzimidazole; 6-Nitrobenzimidazole.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Imidazole, benzimidazole (Nongenotox)|Nitro-aromatic (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["684-93-5","n-methyl-n-nitrosourea;n-nitroso-n-methylurea;1-nitroso-1-methylurea;methylnitrosourea;n-nitroso-n-methylurea [n-methyl-n-nitrosourea (mnu)];1-methyl-1-nitrosourea;n-methyl-n-nitrosourea (nmu);urea, n-methyl-n-nitroso-;urea, 1-methyl-1-nitroso-;nmh;urea, 1-methyl-1-nitroso- (8ci);684-93-5","C(N)(=O)N(C)N=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","1-Methyl-1-Nitrosourea; 1-nitroso-1-methylurea; methylnitrosourea; MNU; Nitrosomethylurea; n-methyl-n-nitroso-carbamide; N-methyl-N-nitroso-Urea; NMH; NMM; NMU; N-Nitrosomethylurea - Carc.; N-nitroso-|||N-methylcarbamide; ski 24464; sri 859.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2",1,"Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"Alkyl and aryl N-nitroso groups",1,"Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor",1]
["100-75-4","piperidine;n-nitrosopiperidine;1-nitrosopiperidine;piperidine, 1-nitroso-;100-75-4;<i>n</i>-nitroso","C1CCCCN1N=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","1-nitrosopiperidine; nitrosopiperidin; N-N-PIP; No-pip; NPIP; pyridine,hexahydro-N-nitroso.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2",1,"Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"Alkyl and aryl N-nitroso groups",1,"Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor",1]
["930-55-2","pyrrolidine;n-nitrosopyrrolidine;1-nitrosopyrrolidine;pyrrolidine, 1-nitroso-;930-55-2;<i>n</i>-nitroso","C1CCCN1N=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","1-nitroso-Pyrrolidine; Nitrosopyrrolidine; N-N-PYR; No-pyr; NPYR; Pyrrole, tetrahydro-N-nitroso-.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2",1,"Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"Alkyl and aryl N-nitroso groups",1,"Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor",1]
["62-75-9","n,n-dimethylnitrosamine;n-nitrosodimethylamine;dimethylnitrosamine;n-nitrosodimethylamine [dimethyl nitrosamine];n-nitrosodimethylamine (n-methyl-n-nitrosomethanamine);nitrosodipropylamine;dimethylnitrosoamine;dimethylnitrosamine (dmn);methanamine, n-methyl-n-nitroso-;n-methyl-n-nitrosomethanamine;nitrosaminese.g.dimethylnitrosoamine;2,2'nitrosoimino)bisethanol;62-75-9","CN(C)N=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","Dimethylnitrosamine; Dimethylnitrosoamine; DMN; DMNA; Methamine, N-methyl-N-nitroso-; NDMA; Nitrosodimethylamine; nitrous dimethylamide; N-methyl-N-nitroso-methanamine; N,N-dimethylnitrosamine.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2",1,"Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"Alkyl and aryl N-nitroso groups",1,"Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor",1]
["924-16-3","n,n-dibutylnitrosamine;nitrosodibutylamine;n-nitrosodibutylamine;dibutylnitrosamine;1-butanamine, n-butyl-n-nitroso-;n-butyl-n-nitrosobutan-1-amine;n-butyl-n-nitroso-1-butanamine","C(CCC)N(CCCC)N=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","Dibutylnitrosamine; Di-n-butylnitrosamine; DBN; N-Butyl-N-nitroso-1-butamine; N-butyl-N-nitroso-1-Butanamine; NDBA; N,N-Di-n-butylnitrosamine; N-Nitrosodibutylamine; N-Nitroso-di-n-butylamine; N-Nitro|||so-di-n-butylamine.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2",1,"Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"Alkyl and aryl N-nitroso groups",1,"Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor",1]
["932-83-2","n-nitrosohexamethyleneimine;hexahydro-1-nitroso-1h-azepine;n-nitrosohexamethyleneimine\"\"\";1-nitrosoazepane;n-nitrosohexamethyleneimine\";1h-azepine, hexahydro-1-nitroso-","C1CCCCCN1N=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","N-Nitrosohexahydroazepine.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2",1,"Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"Alkyl and aryl N-nitroso groups",1,"Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor",1]
["156-10-5","p-nitrosodiphenylamine;4-nitrosodiphenylamine;4-nitroso-n-phenylbenzenamine;4-nitroso-n-phenylaniline;benzenamine, 4-nitroso-n-phenyl-","c1(Nc2ccccc2)ccc(N=O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP190","4-Nitroso-N-Phenylbenzenamine; naugard tkb; N-Nitrosodiphenyl-2,2',4,4',6,6'-d6-amine; N-Phenyl-p-Nitrosoaniline; phenyl 4-nitrosophenyl amine; TKB.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitroso",1,"Aromatic nitroso group (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"Aromatic nitroso group",1,"Aromatic nitroso group  |H-acceptor-path3-H-acceptor",1]
["602-87-9","5-nitroacenaphthene;acenaphthylene, 1,2-dihydro-5-nitro-;acenaphthene, 5-nitro-;1,2-dihydro-5-nitroacenaphthylene;5-nitro-1,2-dihydroacenaphthylene;5nitroacenaphthene","c12c3c(c(N(=O)=O)ccc3CC1)ccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP118","1,2-dihydro-5-nitroacenaphthylene; 5-NAN; 5-Nitroacenaphthene, 85% (Assay); 5-nitronaphthalene ethylene; Nitroacenaphthene.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"Nitro-aromatic",1]
["91-59-8","2-naphthylamine;2-naphthalenamine;2-amino-naphthalene;naphthalen-2-amine;1and2naphthylaminesandtheirsalts","c12c(cc(N)cc1)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","2-Aminonaphthalene; 2-Naphthalenamine; 6-naphthylamine; BNA; beta-Naphthylamine; C.I. 37270; Fast Scarlet Base B; NA.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"Primary aromatic amine, hydroxyl amine and its derived esters",1]
["2243-62-1","1,5-naphthalenediamine;1,5-diaminonaphthalene;1,5-naphthylenediamine;naphthalene-1,5-diamine;1,5-napthalenediamine","c1(N)c2c(c(N)ccc2)ccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP143","1,5-Diaminonaphthalene.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"Primary aromatic amine, hydroxyl amine and its derived esters",1]
["5307-14-2","2-nitro-p-phenylenediamine;2-nitro-1,4-phenylenediamine;1,4-benzenediamine, 2-nitro-;2-nitro-4-phenylenediamine;2-nitro-p-phenylenediamine [2-nitro-1,4-phenylenediamine];nitro-p-phenylenediamine, 2-;p-phenylenediamine, 2-nitro-;2-nitrobenzene-1,4-diamine;2nitropphenylenediamine anditssalts,whenusedas asubstanceinhairdye products;2-nitro-1,4-phenylendiamine;2-nitro-1,4-phenylene diamine","c1(N)c(N(=O)=O)cc(N)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP169","1,4-Diamino-2-nitrobenzene; 2-n-p-pda; 2-NDB; 2-nitro-1,4-Benzenediamine; 2-nitro-1,4-diaminobenzene; o-Nitro-p-phenylenediamine; 2-NPPD; 4-Amino-2-nitroaniline; C.I. 76070; C.I. oxidation base 22; du||afur brown; durafur brown 2R; Dye gs; fouramine 2R; f","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Nitro-aromatic (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic|Primary aromatic amine,hydroxyl amine and its derived esters",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["99-55-8","2-methyl-5-nitroaniline;5-nitro-o-toluidine;5-nitro-ortho-toluidine;5-nitro-2-toluidine;5-nitro-o-toluidine [2-amino-4-nitrotoluene];nitro-o-toluidine, 5-;benzenamine, 2-methyl-5-nitro-;2-amino-4-nitrotoluene;o-toluidine, 5-nitro-;fast scarlet g base;5nitrootoluidine[1];2-methyl-5-nitrobenzenamine","c1(C)c(N)cc(N(=O)=O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP107","1-amino-2-methyl-5-nitrobenzene; 2-Amino-4-nitrotoluene; fast scarlet g; fast scarlet g base; fast scarlet gc base; fast scarlet j salt; fast scarlet mN4t base; fast scarlet t base; hiltonil fast scar|||let g salt; hiltonil fast scarlet g base; hiltonil f","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Nitro-aromatic (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic|Primary aromatic amine,hydroxyl amine and its derived esters",1,"Nitro-aromatic|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["99-56-9","4-nitro-o-phenylenediamine;4-nitro-benzene-1,2-diamine;4-nitro-orto-phenylenediamine;2-amino-4-nitroaniline;1,2-diamino-4-nitrobenzene;4-nitro-o-phenylenediamine 4-nitro-1,2-benzenediamine;1,2-benzenediamine, 4-nitro-;o-phenylenediamine, 4-nitro-;4-nitrobenzene-1,2-diamine","c1(N)c(N)cc(N(=O)=O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP180","1,2-Diamino-4-nitrobenzene; 2-Amino-4-nitroaniline; 3,4-diaminonitrobenzene; 4-n-o-pda; 4-NDB; 4-nitro-1,2-Benzenediamine; 4-nitro-1,2-diaminobenzene; 4-nitro-1,2-phenylenediamine; 4-NO; 4-NOP; 4-NOPD|||; C.I. 76020.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Nitro-aromatic (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic|Primary aromatic amine,hydroxyl amine and its derived esters",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["99-59-2","5-nitro-o-anisidine;5-nitro-ortho-anisidine;2-methoxy-5-nitroaniline;benzenamine, 2-methoxy-5-nitro-;o-anisidine, 5-nitro-;99-59-2","c1(OC)c(N)cc(N(=O)=O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP127","2-amino-1-methoxy-4-nitrobenzene; 2-Amino-4-Nitroanisole; 2-methoxy-5-nitrobenzamine; 2-Methoxy-5-nitroaniline; 3-amino-4-methoxynitrobenzene; 3-nitro-6-methoxyaniline; 4-Nitro-2-amino-anisole; 5-nitr|||o-2-methoxyaniline; 5-NITRO-ortho-ANISIDINE (1-METHO","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Nitro-aromatic (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic|Primary aromatic amine,hydroxyl amine and its derived esters",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["1777-84-0","3-nitro-p-acetophenetide;3'-nitro-p-acetophenetide;n-(4-ethoxy-3-nitrophenyl)acetamide;acetamide, n-(4-ethoxy-3-nitrophenyl)-;n-[4-(ethyloxy)-3-nitrophenyl]acetamide","c1(OCC)c(N(=O)=O)cc(NC(C)=O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP133","3'-Nitro-p-acetophenetidide; 3'-nitro-p-acetophenetidin; 4-acetamino-2-nitrophenetole; 5'-nitro-p-acetophenetidide; N-(3-nitro-4-ethoxyphenyl)acetamide; N-(4-ethoxy-3-nitrophenyl)acetamide.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Aromatic N-acyl amine (Genotox)|Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Aromatic N-acyl amine|Nitro-aromatic",1,"Aromatic N-acyl amine|H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["24554-26-5","n-(4-(5-nitro-2-furyl)-2-thiazolyl)formamide;n-[4-(5-nitro-2-furyl)-2-thiazolyl]formamide;n-(4-(5-nitro-furanyl)-2­thiazolyl)formamide;n-[4-(5-nitrofuran-2-yl)-1,3-thiazol-2-yl]formamide;formamide, n-(4-(5-nitro-2-furanyl)-2-thiazolyl)- (9ci)","C1(C2=CC=C(N(=O)=O)O2)=CSC(NC=O)=N1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","2-formylamino-4-(5-nitro-2-furyl)thiazole; Fanft; N-[4-(5-nitro-2-furanyl)-2-thiazolyl]formamide.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Acylation|Acylation >> P450 Mediated Activation to Isocyanates or Isothiocyanates|Acylation >> P450 Mediated Activation to Isocyanates or Isothiocyanates >> Formamides|SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Unsaturated heterocyclic nitro",1,"Aromatic N-acyl amine (Genotox)|Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Aromatic N-acyl amine|Nitro-aromatic",1,"Aromatic N-acyl amine|H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["59-87-0","nitrofurazone;5-nitro-2-furaldehyde semicarbazone;nitrofural;hydrazinecarboxamide, 2-[(5-nitro-2-furanyl)methylene]-;(2e)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinecarboxamide;2-((5-nitro-2-furanyl)methylene)hydrazine carboxamide;5-nitrofuran-2-carbaldehyde semicarbazone;hydrazinecarboxamide, 2-((5-nitro-2-furanyl)methylene)-;59-87-0","C1(C=NNC(N)=O)=CC=C(N(=O)=O)O1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","N/A","YES","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP337","2-[(5-Nitro-2-furanyl)methylene]-hydrazinecarboxamide; 2-furaldehyde, 5-nitro-, semicarbazole; 5-Nitro-2-furaldehyde Semicarbazone; 5-nitro-2-furancarboxaldehyde semicarbazone; 5-nitro-2-furfuraldehyd|||e semicarbazone; 5-nitro-2-furfural semicarbazone; (","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Unsaturated heterocyclic nitro",1,"Hydrazine (Genotox)|Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Hydrazine|Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Hydrazine|Nitro-aromatic",1]
["842-07-9","c.i. solvent yellow 14;1-phenylazo-2-naphthol;1-(phenylazo)-2-naphthalenol;c.i. solvent yellow;solvent yellow 14;2-naphthalenol, 1-(phenylazo)-;sudan yellow;1-[(e)-phenyldiazenyl]-2-naphthol;2-naphthalenol, 1-(2-phenyldiazenyl)-","c1(O)c(N=Nc2ccccc2)c2c(cccc2)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","N/A","YES","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP226","1,2-naphthoquinone-1-phenylhydrazone; 1-benzeneazo-2-naphthol; 1-(phenylazo)-2-Naphthalenol; 1-Phenylazo-2-naphthol; 1-phenylazo-beta-naphthol; atul orange r; benzene-1-azo-2-naphthol; benzeneazo-beta|||-naphthol; dispersol yellow pp; brasilazina oil oran","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"No alert found",0,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic azo",1,"Aromatic diazo (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aromatic diazo",1,"Aromatic diazo|H-acceptor-path3-H-acceptor",1]
["90-43-7","2-phenylphenol;phenyl phenol, 2-;o-phenylphenol;biphenyl-2-ol;[1,1'-biphenyl]-2-ol;phenylphenol;1,1'-biphenyl-2-ol;1,1'-biphenyl -2-ol;2-biphenylol;Õ1,1'-biphenylå-2-ol\"\";Õ1,1'-biphenylå-2-ol\";2-hydroxybiphenyl;[1,1’-biphenyl]-2-ol;ortho-phenylphenol;Х1,1'-biphenylе-2-ol;ortho-phenyl phenol;sodium 2-phenylphenate;2-hydroxy biphenyl;Х1,1'-biphenylе-2-ol\";(1,1'-biphenyl)-2-ol","c1(-c2c(O)cccc2)ccccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB & NTP301","(1,1-Biphenyl)-2-ol; 1,1'-Biphenyl-2-ol; 2-Biphenylol; orthohydroxydipbenyl; 2-Hydroxybiphenyl; 2-Phenylphenol; Orthoxenol; o-Xonal; biphenyl-2-ol; Biphenylol; Dowicide 1; Hydroxdiphenyl; Hydroxy-2-ph|||enylbenzene; Hydroxybiphenyl; OPP; Preventol O extra","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"No alert found",0,"No alert found",0,"o-phenylphenol (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"No alert found",0]
["108-45-2","1,3-benzenediamine;1,3-phenylenediamine (3-aminoaniline);m-phenylenediamine;benzene-1,3-diamine;phenylenediamine, m-;3-amino-aniline;3-phenylenediamine;mphenylenediamine anditssalts;m-phenylenediamin","c1(N)cc(N)ccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB",null,"Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"Primary aromatic amine, hydroxyl amine and its derived esters",1]
["1955-45-9","pivalolactone;2-oxetanone, 3,3-dimethyl-;hydracrylic acid, 2,2-dimethyl-, .beta.-lactone;3,3-dimethyloxetan-2-one;1955-45-9","C1(=O)C(C)(C)CO1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP140","3,3-dimethyl-2-oxetanone; 3,3-Dimethyl-beta-propiolactone; alpha, alpha-dimethyl-beta-propiolactone; dimethyl propiolactone; pivalic acid lactone.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Michael addition|Michael addition >> alpha, beta-unsaturated carabonyl compounds|Michael addition >> alpha, beta-unsaturated carabonyl compounds >> Four- and Five-Membered Lactones|SN2|SN2 >> Ring opening SN2 reaction|SN2 >> Ring opening SN2 reaction >> Four- and Five-Membered Lactones",1,"SN2|SN2 >> Ring opening SN2 Reaction|SN2 >> Ring opening SN2 Reaction >> Lactones",1,"Propiolactones or propiosultones (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Michael addition|Michael addition >> alpha, beta-unsaturated carabonyl compounds|Michael addition >> alpha, beta-unsaturated carabonyl compounds >> Four- and Five-Membered Lactones|SN2|SN2 >> Ring opening SN2 reaction|SN2 >> Ring opening SN2 reaction >> Four- and Five-Membered Lactones",1,"Propiolactones or propiosultones",1,"H-acceptor-path3-H-acceptor|Propiolactones or propiosultones",1]
["101-80-4","4,4'-oxydianiline;4-aminophenyl ether;4,4'-diaminodiphenyl ether;4,4’-oxydianiline;benzenamine, 4,4'-oxybis-;aniline, 4,4'-oxydi-;4,4?oxydianiline(paminophenyl ether) anditssalts;4,4´-diaminodiphenylether;101-80-4","c1(Oc2ccc(N)cc2)ccc(N)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP205","4,4'-diaminodiphenyl ether; 4,4'-diaminodiphenyloxide; 4,4'-diaminophenyl ether; 4,4'-diaminophenyl oxide; 4,4-dadpe; 4,4'-oxybisbenzenamine; 4,4'-oxydiphenylamine; 4-Aminophenyl ether; bis (p-Aminoph|||enyl) Ether; DADPE; ODA; oxybis(4-aminobenzene); oxy","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"1-phenoxy-benzene|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["1825-21-4","pentachloroanisole;1,2,3,4,5-pentachloro-6-methoxybenzene;benzene, pentachloromethoxy- (9ci)","c1(Cl)c(Cl)c(Cl)c(Cl)c(Cl)c1OC","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP414","2,3,4,5,6-Pentachloroanisole; Methyl pentachlorophenate; methyl pentachlorophenyl ester; PCP methyl ether; pentachloromethoxybenzene; Pentachlorophenol methyl ester; pentachlorophenyl methyl ether.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"No alert found",0,"No alert found",0,"Pentachloro phenol (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"No alert found",0]
["56-38-2","parathion;ethyl parathion;o,o-diethyl o-(4-nitrophenyl) phosphorothioate;phosphorothioic acid, o,o-diethyl-o-(4-nitrophenyl)ester;phosphorothioic acid, o,o-diethyl o-(4-nitrophenyl) ester;o,o'diethylo4nitrophenyl phosphorothioate(parathioniso);parathion paraoxon degradate;o,o-diethyl o-(4-nitrophenyl) thiophosphate;56-38-2","c1(OP(=S)(OCC)OCC)ccc(N(=O)=O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP70","O,O-diethyl-O-(p-nitrophenyl)thionophosphate; O,O-diethyl-O-p-nitrophenylthiophosphate; bayer e-605; Diethyl O-p-nitrophenyl phosphorothioate; diethyl para-nitrophenol thiophosphate; diethyl p-nitroph|||enyl monothiophosphate; diethyl 4-nitrophenyl phosph","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"Nitro-aromatic",1,"Nitro-aromatic",1]
["14698-29-4","oxolinic acid;1,3-dioxolo[4,5-g]quinoline-7-carboxylic acid, 5-ethyl-5,8-dihydro-8-oxo-;5-ethyl-8-oxo-5,8-dihydro[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid;5-ethyl-5,8-dihydro-8-oxo-1,3-dioxolo[4,5-g]quinoline-7-carboxylic acid;1,3-dioxolo(4,5-g)quinoline-7-carboxylic acid, 5-ethyl-5,8-dihydro-8-oxo-","C(=O)(O)C1C(=O)c2c(cc3c(c2)OCO3)N(CC)C=1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB",null,"Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"No alert found",0,"No alert found",0,"1,3-Benzodioxoles (Nongenotox)|alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for nongenotoxic carcinogenicity|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"No alert found",0,"alpha,beta-unsaturated carbonyls",1,"alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor",1]
["50-06-6","phenobarbital;5-ethyl-5-phenyl-pyrimidine-2,4,6-trione;2,4,6(1h,3h,5h)-pyrimidinetrione, 5-ethyl-5-phenyl-;phenobarbital\"\"\";5-ethyl-5-phenylbarbituric acid;phenobarbital [usan:inn:jan];5-ethyl-5-phenylpyrimidine-2,4,6(1h,3h,5h)-trione;5-ethyl-5-phenyl-2,4,6(1h,3h,5h)-pyrimidinetrione;phenobarbital\"","C1(=O)C(c2ccccc2)(CC)C(=O)NC(=O)N1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","5-ethyl-5-phenyl-2,4,6-(1H,3H,5H)pyrimidinetrione; 5-Ethyl-5-phenylbarbituric acid; bartol; bialminal; blu-phen; cabronal; calmetten; calminal; cardenal; codibarbita; coronaletta; cratecil; damoral; d|||ezibarbitur; Donnazyme; Donphen; dormina; dormiral;","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["542-56-3","isobutyl nitrite;nitrous acid, 2-methylpropyl ester;2-methylpropyl nitrite;542-56-3","C(C)(C)CON=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP448","IBN; Nitrous acid, 2-methylpropyl ester; nitrous acid, isobutyl ester.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Radical decomposition|Radical >> Radical decomposition >> Alkylnitrites|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Alkylnitrites|SN1|SN1 >> Nitrosation|SN1 >> Nitrosation >> Alkylnitrites",1,"SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Alkyl nitrates",1,"Alkyl nitrite (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical decomposition|Radical >> Radical decomposition >> Alkylnitrites|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Alkylnitrites|SN1|SN1 >> Nitrosation|SN1 >> Nitrosation >> Alkylnitrites",1,"Alkyl nitrite",1,"Alkyl nitrite|H-acceptor-path3-H-acceptor",1]
["75-47-8","iodoform;triiodomethane;methane, triiodo-;75-47-8","C(I)(I)I","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP110","Triiodomethane.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes",1,"No alert found",0,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes",1,"Aliphatic halogens",1,"Aliphatic halogen",1]
["109-84-2","2-hydrazino-ethanol;2-hydroxyethylhydrazine;ethanol, 2-hydrazino-;2-hydrazinoethanol;(2-hydroxy)ethyl-hydrazine;2-hydrazinylethanol;n-(2-hydroxyethyl)hydrazine","C(O)CNN","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","2-Hydrazinoethanol; beta-Hydroxyethyl hydrazine; BOH; Hydrazinoethanol; Hydroxyethylhydrazine; Omaflora.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Nucleophilic addition|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization >> Hydrazine Derivatives|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Hydrazine Derivatives",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Hydrazine",1,"Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Nucleophilic addition|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization >> Hydrazine Derivatives|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Hydrazine Derivatives",1,"Hydrazine",1,"H-acceptor-path3-H-acceptor|Hydrazine",1]
["13743-07-2","1-(2-hydroxyethyl)-1-nitrosourea;urea, 1-(2-hydroxyethyl)-1-nitroso-","C(N)(=O)N(CCO)N=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","N-nitroso-2-hydroxyethylurea.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2",1,"Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"Alkyl and aryl N-nitroso groups",1,"Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor",1]
["148-24-3","8-quinolinol;oxyquinoline [usan];8-hydroxyquinoline;quinolin-8-ol;hydroxyquinoline, 8-;hydroxy8quinolineanditssulphate,except fortheuses providedfor inno51inannex iii;148-24-3","c1(O)c2c(cccn2)ccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP276","8-OQ; 8-oxyquinoline; 8-quinol; 8-Quinolinol; Azanaphthalene-8-ol; fennosan; Fennosan H 30; HQ; hydroxybenzopyridine; Hydroxychinolin; Hydroxyquinoline; OQ; OXIN; Oxine; oxybenzopyridine; oxychinolin;||| oxyquinoline; phenopyridine; Quinolinol; quinopheno","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["54-85-3","isoniazid;isonicotinic acid hydrazide;4-pyridinecarboxylic acid, hydrazide;isonicotinic acid hydrazide\"\"\";4-hydrazinocarbonylpyridine;pyridine-4-carbohydrazide;hydrazidesandtheirsaltse.g.isoniazid(inn);4-pyridine carboxylic acid, hydrazide;isonicotinohydrazide;isonicotinic acid hydrazide\"","C(=O)(c1ccncc1)NN","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB & Toxnet","4-Pyridinecarboxylic acid hydrazide; 5015 rp; Abdizide; andrazide; Anidrasona; Antimicina; antituberkulosum; armacide; armazide; atcotibine; azuren; bacillen; dibutin; diforin; Dinacrin; Ditubin; bp 5||15; Cedin; cemidon; chemiazid; chemidon; Continazine;","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Nucleophilic addition|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization >> Hydrazine Derivatives|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Hydrazine Derivatives",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Hydrazine",1,"Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Hydrazine",1,"H-acceptor-path3-H-acceptor|Hydrazine",1]
["100-97-0","hexamethylenetetramine (aliphatic);hexamethylenetetramine;1,3,5,7-tetraaza-tricyclo[3.3.1.1%3,7&]decane;1,3,5,7-tetraazatricyclo[3.3.1.13,7]decane;methenamine;1,3,5,7-tetraazatricyclo 3.3.1.13,7 decane;1,3,5,7-tetraazatricycloХ3.3.1.13,7еdecane;methenamine [usan:inn];1,3,5,7-tetraazatricyclo[3.3.1.1~3,7~]decane;1,3,5,7-tetraazatricyclo[3.3.1.137]decane;1,3,5,7-tetraazatricyclo[3.3.1.1(3,7)]decane;1,3,5,7-tetraazatricyclo(3.3.1.13,7)decane","C1N2CN3CN(CN1C3)C2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","Methenamine; Hexamine; Urotropine; Antihydral; Formamine; Hexaloids.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"No alert found",0,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0]
["1083-57-4","bucetin;3-hydroxy-p-butyrophenetidide;butanamide, n-(4-ethoxyphenyl)-3-hydroxy-;p-butyrophenetidide, 3-hydroxy-\"\"\";p-butyrophenetidide, 3-hydroxy-;n-(4-ethoxyphenyl)-3-hydroxybutanamide;n-[4-(ethyloxy)phenyl]-3-hydroxybutanamide;p-butyrophenetidide, 3-hydroxy-\";1083-57-4","c1(OCC)ccc(NC(=O)CC(C)O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","Bucetin; Betadid.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["53-95-2","n-hydroxy-2-(acetylamino)fluorene;n-hydroxy-2-acetylaminofluorene;n-9h-fluoren-2-yl-n-hydroxyacetamide;acetamide, n-9h-fluoren-2-yl-n-hydroxy- (9ci)","c12-c3c(cc(N(O)C(C)=O)cc3)Cc1cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","Acetamide, N-fluoren-2-yl-N-hydroxy; fluorenyl-2-acethydroxamic acid; Hydroxy-N-2-fluorenylacetamide; N-fluoren-2-ylacetohydroxamic acid; n-ho-aaf; N-hydroxy-2-acetamidofluorene; N-hydroxy-2-faa; N-hy|||droxy-N-2-fluorenylacetamide; N-hydroxy-N-acetyl-2-a","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> N-hydroxylamines",1,"No alert found",0,"Polycyclic Aromatic Hydrocarbons (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> N-hydroxylamines",1,"Polycyclic Aromatic Hydrocarbons|Primary aromatic amine,hydroxyl amine and its derived esters",1,"H-acceptor-path3-H-acceptor|Polycyclic Aromatic Hydrocarbons|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["26049-71-8","2-hydrazino-4-(4-aminophenyl)thiazole;2-hydrazino-4-(p-aminophenyl) thiazole;2-hydrazino-4-(p-aminophenyl)thiazole;4-(2-hydrazino-1,3-thiazol-4-yl)aniline;thiazole, 4-(p-aminophenyl)-2-hydrazino-","C1(c2ccc(N)cc2)=CSC(NN)=N1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","-","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Nucleophilic addition|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization >> Hydrazine Derivatives|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Hydrazine Derivatives|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Hydrazine|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Hydrazine (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Nucleophilic addition|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization >> Hydrazine Derivatives|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Hydrazine Derivatives|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Hydrazine|Primary aromatic amine,hydroxyl amine and its derived esters",1,"H-acceptor-path3-H-acceptor|Hydrazine|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["122-66-7","1,2-diphenylhydrazine;hydrazobenzene;hydrazine, 1,2-diphenyl-;1,2-diphenylhydrazine (9ci)","c1(NNc2ccccc2)ccccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP92","1,1'-hydrazodibenzene; 1,2-Diphenyldrazine; 1,2-Diphenylhydrazine; Diphenylhydrazine, 1,2-; DPH; hydrazodibenzene; N,N'-Bianiline; N,N'-diphenylhydrazine; (sym)-diphenylhydrazine.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"No alert found",0,"No alert found",0,"Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Hydrazine",1,"H-acceptor-path3-H-acceptor|Hydrazine",1]
["66-27-3","methyl methanesulfonate;methanesulfonic acid;methyl methane sulfonate;methyl methane sulfonate (mms);methyl methanesulphonate;methanesulfonic acid, methyl ester;methanesulfonic acid methyl ester;methylmethanesulfonate;66-27-3;me ester","COS(C)(=O)=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","Toxnet","as-dimethyl sulfite; Methanesulfonic acid methyl ester; methyl ester of methanesulfonic acid; Methyl mesylate; Methylsulfonic acid, methyl ester; MMS.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Sulfonates and Sulfates",1,"SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Sulfonates",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Sulfonates and Sulfates",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid|H-acceptor-path3-H-acceptor",1]
["298-00-0","parathion-methyl [bsi:iso];parathion-methyl (technical);parathion-methyl (penncap-m);methyl parathion;parathion-methyl;o,o-dimethyl o-(4-nitrophenyl) phosphorothioate;phosphorothioic acid, o,o-dimethyl o-(4-nitrophenyl)ester;parathion methyl;methylparathion;phosphorothioic acid, o,o-dimethyl o-(4-nitrophenyl) ester;o,o-dimethyl o-(4-nitrophenyl) ester phosphorothioic acid;methyl parathion/epn;methyl parathion/xylene;methyl parathion penncap m;methyl parathion pencap m;o,o-dimethyl o-(4-nitrophenyl) thiophosphate;298-00-0","c1(OP(=S)(OC)OC)ccc(N(=O)=O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP157","O,O-dimethyl O-(p-nitrophenyl) thionophosphate; O,O-dimethyl O-p-nitrophenyl phosphorothioate; nitrox; nitrox 80; Penncap-M; Phosphorothioic acid O,O-dimethyl O-(4-nitrophenyl) ester; wofatox; O,O-dim|||ethyl O-p-nitrophenyl thiophosphate; Metacide; Metaf","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"Nitro-aromatic",1,"Nitro-aromatic",1]
["129-15-7","2-methyl-1-nitroanthraquinone;2-methyl-1-nitro-anthraquinone;1-nitro-2-methylanthraquinone;2-methyl-1-nitroanthracene-9,10-dione;2-methyl-1-nitro-9,10-anthraquinone;9,10-anthracenedione, 2-methyl-1-nitro- (9ci)","c12C(=O)c3c(C(=O)c1c(N(=O)=O)c(C)cc2)cccc3","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP29","1-nitro-2-methylanthraquinone; 2-methyl-1-nitro-9,10-anthracenedione.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Radical >> Radical mechanism by ROS formation >> Quinones|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"No alert found",0,"Quinones (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Radical >> Radical mechanism by ROS formation >> Quinones|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Quinones",1,"H-acceptor-path3-H-acceptor|Quinones",1]
["1068-57-1","monoacetyl hydrazine;acetic acid hydrazide;monoacetylhydrazine;acetohydrazide;acetic acid, hydrazide\"\"\";acetic acid, hydrazide","C(C)(=O)NN","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","Acetic acid, hydrazide; Acethydrazide; Acetic hydrazide; Acetohydrazide; Acetyl hydrazide; N-Acetyldiamine.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Nucleophilic addition|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization >> Hydrazine Derivatives|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Hydrazine Derivatives",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Hydrazine",1,"Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Nucleophilic addition|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization >> Hydrazine Derivatives|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Hydrazine Derivatives",1,"Hydrazine",1,"H-acceptor-path3-H-acceptor|Hydrazine",1]
["443-48-1","metronidazole;metronidazol;1h-imidazole-1-ethanol, 2-methyl-5-nitro-;2-(2-methyl-5-nitro-1h-imidazol-1-yl)ethanol;2-methyl-5-nitro-1h-imidazole-1-ethanol","C1(N(=O)=O)=CN=C(C)N1CCO","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","1-(2-hydroxy-1-ethyl)-2-methyl-5-nitroimidazole; 1-(2-hydroxyethyl)-2-methyl-5-nitroimidazole; 1-(beta-ethylol)-2-methyl-5-nitro-3-azapyrrole; 1-(beta-hydroxyethyl)-2-methyl-5-nitroimidazole; 1-hydrox|||yethyl-2-methyl-5-nitroimidazole; 2-methyl-1-(2-hydr","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Unsaturated heterocyclic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["90-94-8","methanone, bis[4-(dimethylamino)phenyl]-;michler's ketone;4,4-bis(dimethylamino)benzophenone;michler’s ketone, [4,4’bis­(dimethylamino)benzophenone];bis-(4-dimethylamino-phenyl)-methanone;4,4'-bis(dimethylamino)benzophenone;benzophenone, 4,4'-bis(dimethylamino)-;methanone, bisХ4-(dimethylamino)phenylе-;methanone, bis 4-(dimethylamino)phenyl -;bis[4-(dimethylamino)phenyl]methanone;4,4?bis(dimethylamino)benzophenone (michler'sketone);methanone, bis(4-(dimethylamino)phenyl)-","c1(C(=O)c2ccc(N(C)C)cc2)ccc(N(C)C)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP181","4,4[-Bis(dimethylamino)benzophenone; 4,4'-bis(Dimethylamino)benzophenone; p,p'-bis(N,N-dimethylamino)benzophenone; p,p'-michler's ketone; 4,4'-tetramethyldiaminobenzophenone; di-p-dimethylaminophenyl |||ketone; bis[4-(Dimethylamino)phenyl]-methanone; bis(","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"No alert found",0,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine",1,"Aromatic mono-and dialkylamine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aromatic mono-and dialkylamine",1,"Aromatic mono- and dialkylamine",1]
["148-82-3","melphalan;4-(bis(2-chloroethyl)amino)-l-phenylalanine;melphalan [usan:ban:inn:jan];melphalan [sarkolysin] [phenyl alanine mustard];l-phenylalanine, 4-[bis(2-chloroethyl)amino]-;4-[bis(2-chloroethyl)amino]-l-phenylalanine;alanine, 3-(p-(bis(2-chloroethyl)amino)phenyl)-, l-;148-82-3","C(=O)(O)C(N)Cc1ccc(N(CCCl)CCCl)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","N/A","YES","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","3025 c.b.; 3-(p-(bis(2-chloroethyl)amino)phenyl)-L-alanine; 4-[bis(2-chloroethyl)amino]-L-Phenylalanine; p-L-sarcolysine; p-N-bis(2-chloroethyl)amino-L-phenylalanine; p-N-di(chloroethyl)aminophenylala|||nine; AT-290; cb 3025; L-3-(p-(bis(2-chloroethyl)ami","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Nitrogen Mustards",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine|SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> Mustards",1,"S or N mustard (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"S or N mustard",1,"H-acceptor-path3-H-acceptor|S or N mustard",1]
["298-81-7","8-methoxypsoralen;7h-furo[3,2-g][1]benzopyran-7-one, 9-methoxy-;methoxsalen;8-methoxypsoralen + uva;methoxypsoralen, 8-;methoxalen;9-methoxyfuro[3,2-g]chromen-7-one;7h-furoХ3,2-gеХ1еbenzopyran-7-one, 9-methoxy-;5-benzofuranacrylic acid, 6-hydroxy-7-methoxy-, .delta.-lactone;9-methoxy-7h-furo[3,2-g]chromen-7-one;furocoumarines(e.g.trioxysalen(inn),8methoxypsoralen,5methoxypsoralen) except fornormalcontentinnaturalessencesused. insunprotectionandinbronzing products,furocoumarinesshall be below1mg/kg;9-methoxy-7h-furo[3,2-g][1]benzopyran-7-one;9-(methyloxy)-7h-furo[3,2-g]chromen-7-one;7h-furo(3,2-g)(1)benzopyran-7-one, 9-methoxy-;298-81-7;xanthotoxin","c12c(c(OC)c3c(C=CC(=O)O3)c1)OC=C2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB & NTP359","6-hydroxy-7-methoxy-5-benzofuranacrylic acid delta-lactone; 7-furocoumarin; 8-Methoxy; 8-methoxy-2',3',6,7-furocoumarin; 8-Methoxy-4',5':6,7-furocoumarin; 8-Methoxyfuranocoumarin; 8-MOP; 8-MP; 9-metho|||xy-7H-furo(3,2-g)benzopyran-7-one; 9-methoxyfuro[3,2","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Generation of reactive oxygen species|Radical >> Generation of reactive oxygen species >> Coumarins|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Coumarins",1,"SN2|SN2 >> P450 Mediated Epoxidation|SN2 >> P450 Mediated Epoxidation >> Coumarins",1,"Coumarins and Furocoumarins (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Coumarins and Furocoumarins",1,"1,3-dialkoxy-benzene|Coumarins and Furocoumarins|H-acceptor-path3-H-acceptor",1]
["3544-23-8","3-methoxy-4-aminoazobenzene;3-methoxy-4-aminoazo benzene;2-methoxy-4-(phenylazo)benzenamine;2-(methyloxy)-4-[(e)-phenyldiazenyl]aniline;benzenamine, 2-methoxy-4-(phenylazo)- (9ci)","c1(N)c(OC)cc(N=Nc2ccccc2)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","N/A","YES","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","4-(Phenylazo)-o-anisidine","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic azo|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Aromatic diazo (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aromatic diazo|Primary aromatic amine,hydroxyl amine and its derived esters",1,"Aromatic diazo|H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["57-57-8","beta-propiolactone;2-oxetanone;propiolactone;beta-propionolactone;b-propriolactone;hydracrylic acid, .beta.-lactone;oxetan-2-one;ß-propiolactone;beta-propriolactone","C1(=O)CCO1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","1,3-Propiolactone; 2-Oxetanone; 3-hydroxypropionic acid beta-lactone; 3-hydroxypropionic acid lactone; 3-Propiolactone; beta3-Propiolactone; BPL; betaprone; beta-propionolactone; Beta-PROPIOLACTONE (2|||-OXETANONE); beta-Propiolactone; Hydracrylic Acid be","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Michael addition|Michael addition >> alpha, beta-unsaturated carabonyl compounds|Michael addition >> alpha, beta-unsaturated carabonyl compounds >> Four- and Five-Membered Lactones|SN2|SN2 >> Ring opening SN2 reaction|SN2 >> Ring opening SN2 reaction >> Four- and Five-Membered Lactones",1,"SN2|SN2 >> Ring opening SN2 Reaction|SN2 >> Ring opening SN2 Reaction >> Lactones",1,"Propiolactones or propiosultones (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Michael addition|Michael addition >> alpha, beta-unsaturated carabonyl compounds|Michael addition >> alpha, beta-unsaturated carabonyl compounds >> Four- and Five-Membered Lactones|SN2|SN2 >> Ring opening SN2 reaction|SN2 >> Ring opening SN2 reaction >> Four- and Five-Membered Lactones",1,"Propiolactones or propiosultones",1,"H-acceptor-path3-H-acceptor|Propiolactones or propiosultones",1]
["107-13-1","acrylonitrile;2-propenoic acid;2-propenenitrile;107-13-1;nitrile","C(#N)C=C","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB & NTP506","2-Propenenitrile; ACN; AN; Cyanoethylene; Fumigrain; miller's fumigrain; propenenitrile; Propenitrile; propenonitrile; TL 314; VCN; vinyl cyanide.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0]
["4075-79-0","4-(acetylamino)biphenyl;4-acetylaminobiphenyl;acetamide, n- 1,1'-biphenyl -4-yl-;acetanilide, 4'-phenyl-;acetamide, n-Õ1,1'-biphenylå-4-yl-\"\"\";acetamide, n-[1,1'-biphenyl]-4-yl-;n-biphenyl-4-ylacetamide;acetamide, n-(1,1'-biphenyl)-4-yl-","c1(-c2ccc(NC(C)=O)cc2)ccccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","4'-Phenylacetanilide; Acetamide, N-[1,1'-biphenyl]-4-yl-.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"No alert found",0,"No alert found",0,"Aromatic N-acyl amine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aromatic N-acyl amine",1,"Aromatic N-acyl amine|H-acceptor-path3-H-acceptor",1]
["126-72-7","1-propanol, 2,3-dibromo-, 1,1',1''-phosphate;tris(2,3-dibromopropyl)phosphate;tris(2,3-dibromopropyl) phosphate;tris(2,3-dibromo-1-propyl) phosphate;1-propanol, 2,3-dibromo-, phosphate (3:1);2,3-dibromo-1-propanol, phosphate (3:1);tris (2,3-dibromopropyl) phosphate;126-72-7","C(Br)(COP(=O)(OCC(Br)CBr)OCC(Br)CBr)CBr","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP76","2,3-Dibromo-1-propanol phosphate; 2,3-dibromo-1-propanol phosphate (3:1); 2,3-Dibromopropyl phosphate; anfram 3pb; apex 462-5; bromkal p 67-6hp; ES685; firemaster lv-t 23p; firemaster t23p; firemaster||| t23p-lv; flacavon r; flamex t 23p; flammex ap; flam","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"SN2|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation >> Vicinal Dihaloalkanes|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> 1,2-Dihaloalkanes",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation >> Vicinal Dihaloalkanes|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid|H-acceptor-path3-H-acceptor",1]
["75104-43-7","3-amino-1,4-dimethyl-5h-pyrido[4,3-b]indole acetate;1,4-dimethyl-5h-pyrido[4,3-b]indol-3-amine acetate","c12-c3c(c(C)c(N)nc3C)Nc1cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","Low Quality, Conflict","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","Trp-p-1 acetate.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"No alert found",0,"Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Heterocyclic Polycyclic Aromatic Hydrocarbons|Primary aromatic amine,hydroxyl amine and its derived esters",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["75-01-4","vinyl chloride monomer;vinyl chloride;ethene, chloro-;vinylchloride;ethylene chloride;chloroethylene;ethylene, chloro-;chloroethene;vinylchloridemonomer;75-01-4","C(=C)Cl","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","Chloroethene; chloroethylene; ethylene monochloride; Monochloroethene; Monochloroethylene; VC; VCM; Vinyl C.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"No alert found",0,"No alert found",0,"Monohaloalkene (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Monohaloalkene",1,"Monohaloalkene",1]
["59820-43-8","hc yellow no. 4","c1(N(CCO)CCO)c(O)cc(N(=O)=O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","Low Quality, Conflict","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP419","2-(bis(2-hydroxyethyl)amino)-5-nitrophenol; HC yellow 4; N-o-di(2-hydroxyethyl)-2-amino-5-nitrophenol.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["75-35-4","1,1-dichloroethene;1,1-dichloroethylene,;dichloroethylene,1,1-;vinylidene chloride;ethene, 1,1-dichloro-;1,1-dichloroethylene;dichloroethylene, 1,1-;vinylidene dichloride;ethylene, 1,1-dichloro-;dichloroethylenes(acetylenechlorides) e.g.vinylidene chloride(1,1dichloroethylene);1,1-dichloroethene (9ci)","C(=C)(Cl)Cl","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP228","1,1-Dichloroethene; 1,1-dichloroethylene; 1,1-DCE; asym-dichloroethylene; sconatex; vinylidene dichloride; vinylidene chloride(II).","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0]
["2832-40-8","c.i. disperse yellow 3;4'-((6-hydroxy-m-tolyl)azo)acetanilide;c.i. disperse yellow;disperse yellow 3;n-[4-[(2-hydroxy-5-methylphenyl)azo]phenyl]acetamide;acetamide, n-[4-[(2-hydroxy-5-methylphenyl)azo]phenyl]-;n-{4-[(e)-(2-hydroxy-5-methylphenyl)diazenyl]phenyl}acetamide;acetamide, n- 4- (2-hydroxy-5-methylphenyl)azo phenyl -;acetamide, n-Х4-Х(2-hydroxy-5-methylphenyl)azoеphenylе-;acetanilide, 4'-(6-hydroxy-m-tolylazo)-;acetamide, n-(4-(2-(2-hydroxy-5-methylphenyl)diazenyl)phenyl)-","c1(O)c(N=Nc2ccc(NC(C)=O)cc2)cc(C)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP222","4'-(2-Hydroxy-5-methylphenylazo)acetanilide; cibacete yellow gba; cibacet yellow 2gc; vonteryl yellow g; vonteryl yellow r; yellow reliton g; celliton fast yellow g; safaritone yellow g; samaron yello|||w pa3; serinyl hosiery yellow gd; seriplas yellow gd","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Alkyl phenols|SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic azo",1,"Aromatic diazo (Genotox)|Aromatic N-acyl amine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aromatic diazo|Aromatic N-acyl amine",1,"Aromatic diazo|Aromatic N-acyl amine|H-acceptor-path3-H-acceptor",1]
["25843-45-2","azoxymethane;[(z)-methyl-nno-azoxy]methane;diazene, dimethyl-, 1-oxide (9ci)","CN=N(C)=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","AOM; dimethyldiazene-1-oxide; Z-methyl-O,N,N-azoxymethane.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"No alert found",0,"No alert found",0,"Aliphatic azo and azoxy (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aliphatic azo and azoxy",1,"Aliphatic azo and azoxy",1]
["720-69-4","4,6-diamino-2-(5-nitro-2-furyl)-1,3,5-triazine;4,6-diamino-2-(5-nitro-2-furyl)-s-triazine;6-(5-nitrofuran-2-yl)-1,3,5-triazine-2,4-diamine;s-triazine, 2,4-diamino-6-(5-nitro-2-furyl)- (8ci)","c1(C2=CC=C(N(=O)=O)O2)nc(N)nc(N)n1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","-","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Unsaturated heterocyclic nitro",1,"Nitro-aromatic (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic|Primary aromatic amine,hydroxyl amine and its derived esters",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["488-41-5","mitobronitol;dibromomannitol;1,6-dibr-1,6-dideoxymannitol;1,6-dibromo-1,6-dideoxy-d-mannitol;mannitol, 1,6-dibromo-1,6-dideoxy-, d-;488-41-5","C(O)(C(O)C(O)C(O)CBr)CBr","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","N/A","YES","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","1,6-dibromo-1,6-dideoxy-D-mannitol; 1,6-dibromo-1,6-dideoxymannitol; 1,6-dibromo-1,6-D-didesoxymannitol; 1,6-Dibromomannitol; 1,6-dideoxy-1,6-dibromo-D-mannitol; dibromannit; DBM; mannitol, 1,6-dibrom|||o-1,6-dideoxy-, D-; mitobromitol; Mitobronitol; myel","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Elimination (E2)|Elimination (E2) >> E2 elimination reaction with epoxide formation|Elimination (E2) >> E2 elimination reaction with epoxide formation >> Haloalcohols|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Haloalcohols",{"$f":"IF(X66=\"No alert found\",0,1)","v":1},"SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides",{"$f":"IF(Z66=\"No alert found\",0,1)","v":1},"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",{"$f":"IF(AB66=\"No alert found\",0,1)","v":1},"Elimination (E2)|Elimination (E2) >> E2 elimination reaction with epoxide formation|Elimination (E2) >> E2 elimination reaction with epoxide formation >> Haloalcohols|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Haloalcohols",{"$f":"IF(AD66=\"No alert found\",0,1)","v":1},"Aliphatic halogens",{"$f":"IF(AF66=\"No alert found\",0,1)","v":1},"Aliphatic halogen|H-acceptor-path3-H-acceptor",{"$f":"IF(AH66=\"No alert found\",0,1)","v":1}]
["123-73-9","crotonaldehyde;crotonaldehyde (2-butenal);butenal;(e)-crotonaldehyde;trans-crotonaldehyde;2-butenal, (e)-;2-butenal;2-butenal, (2e)-;(2e)-but-2-enal;(e)-2-butenal;(<i>e</i>)-form","C(=O)C=CC","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","(E)-2-Butenal; (E)-Crotonaldehyde; trans-2-Butenal; trans-crotonaldehyde.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Michael addition|Michael addition >> alpha, beta-unsaturated carabonyl compounds|Michael addition >> alpha, beta-unsaturated carabonyl compounds >> Alpha, Beta-Unsaturated Aldehydes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Alpha, Beta-Unsaturated Aldehydes",1,"Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated aldehydes",1,"alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Michael addition|Michael addition >> alpha, beta-unsaturated carabonyl compounds|Michael addition >> alpha, beta-unsaturated carabonyl compounds >> Alpha, Beta-Unsaturated Aldehydes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Alpha, Beta-Unsaturated Aldehydes",1,"alpha,beta-unsaturated carbonyls",1,"alpha,beta-unsaturated carbonyls",1]
["60-11-7","4-(dimethylamino)azobenzene;dimethyl-(4-phenylazo-phenyl)-amine;n,n-dimethyl-4-aminoazobenzene;4-dimethylaminoazobenzene;4-(n,n-dimethylamino)azobenzene;n,n’-dimethyl-4-aminoazobenzene [4-dimethylamino-azobenzene];benzenamine, n,n-dimethyl-4-(phenylazo)-;n,n-dimethyl-4-[(e)-phenyldiazenyl]aniline;60-11-7","c1(N=Nc2ccccc2)ccc(N(C)C)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","IARC & Toxnet","Solvent Yellow 2; Butter Yellow; Methyl yellow; DAB; Oil Yellow; N,N-dimethyl-4-aminoazobenzene; N,N-dimethyl-4-(phenylazo)benzenamine; Dimethylaminoazobenzene; yellow g soluble in grease; stear yello|||w jb; sudan gg; sudan yellow; sudan yellow gg; sudan","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"No alert found",0,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic azo|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine",1,"Aromatic diazo (Genotox)|Aromatic mono-and dialkylamine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aromatic diazo|Aromatic mono-and dialkylamine",1,"Aromatic diazo|Aromatic mono- and dialkylamine|H-acceptor-path3-H-acceptor",1]
["551-92-8","1,2-dimethyl-5-nitroimidazole;1,2-dimethyl-5-nitro-1h-imidazole;1h-imidazole, 1,2-dimethyl-5-nitro-;dimetridazole;1h-imidazole, 1,2-dimethyl-5-nitro- (9ci)","C1(N(=O)=O)=CN=C(C)N1C","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","1,2-Dimethyl-5-nitro-1H-imidazole; Dimetridazole.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Unsaturated heterocyclic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["91-94-1","[1,1'-biphenyl]-4,4'-diamine, 3,3'-dichloro-;3,3'-dichlorobenzidine;3,3'-dichloro-[1,1'-biphenyl]-4,4'-diamine;1,1'-biphenyl -4,4'-diamine, 3,3'-dichloro-;benzidine, 3,3'-dichloro-;Х1,1'-biphenylе-4,4'-diamine, 3,3'-dichloro-;3,3'-dichlorobiphenyl-4,4'-diamine;3,3?dichlorobenzidine;3,3''-dichlorobenzidine;(1,1'-biphenyl)-4,4'-diamine, 3,3'-dichloro-","c1(-c2cc(Cl)c(N)cc2)cc(Cl)c(N)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","o,o'-dichlorobenzidine; 3,3'-Dichloro-(1,1'-biphenyl)-4,4'-diamine; 3,3'-dichloro-4,4'-diaminobiphenyl; 3,3'-dichloro-4,4'-biphenyldiamine; 3,3-Dichlorobenzidine; 3,3'-dichlorobiphenyl-4,4'-diamine; 4|||,4'-diamino-3,3'-dichlorobiphenyl; dichlorobenzidine","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"Primary aromatic amine, hydroxyl amine and its derived esters",1]
["869-01-2","n-butyl-n-nitrosourea;n-n-butyl-n-nitrosourea;1-butyl-1-nitrosourea;urea, n-butyl-n-nitroso- (9ci);869-01-2","C(N)(=O)N(CCCC)N=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","1-Butyl-1-nitrosourea; BNU; n-Butylnitrosourea.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2",1,"Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"Alkyl and aryl N-nitroso groups",1,"Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor",1]
["3068-88-0","beta-butyrolactone;4-methyl-2-oxetanone;4-methyloxetan-2-one;2-oxetanone, 4-methyl-;(1)-4-methyloxetan-2-one","C1(=O)CC(C)O1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB & IARC","3-Hydroxybutanoic Acid beta-Lactone; 4-Methyl-2-oxetanone; Beta-BUTYROLACETONE.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Michael addition|Michael addition >> alpha, beta-unsaturated carabonyl compounds|Michael addition >> alpha, beta-unsaturated carabonyl compounds >> Four- and Five-Membered Lactones|SN2|SN2 >> Ring opening SN2 reaction|SN2 >> Ring opening SN2 reaction >> Four- and Five-Membered Lactones",1,"SN2|SN2 >> Ring opening SN2 Reaction|SN2 >> Ring opening SN2 Reaction >> Lactones",1,"Propiolactones or propiosultones (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Michael addition|Michael addition >> alpha, beta-unsaturated carabonyl compounds|Michael addition >> alpha, beta-unsaturated carabonyl compounds >> Four- and Five-Membered Lactones|SN2|SN2 >> Ring opening SN2 reaction|SN2 >> Ring opening SN2 reaction >> Four- and Five-Membered Lactones",1,"Propiolactones or propiosultones",1,"H-acceptor-path3-H-acceptor|Propiolactones or propiosultones",1]
["92-87-5","benzidine;biphenyl-4,4'-diamine;4,4'-diaminobiphenyl;[1,1'-biphenyl]-4,4'-diamine;(1,1'-biphenyl)-4,4'-diamine","c1(-c2ccc(N)cc2)ccc(N)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","IARC","1,1'-Biphenyl-4,4'-Diamine; 4,4'-diamino-1,1'-biphenyl; 4,4'-Diaminobiphenyl; 4,4'-Bianiline; 4,4'-Biphenyldiamine; 4,4'-Diphenylenediamine; p-benzidine; p-Diaminodiphenyl; Bensidine; benzidine base; |||C.I. 37225; C.I. azoic diazo component 112; fast cor","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"Primary aromatic amine, hydroxyl amine and its derived esters",1]
["1937-37-7","c.i. direct black 38;2,7-naphthalenedisulfonic acid, 4-amino-3-[2-[4'-[2-(2,4-diaminophenyl)diazenyl][1,1'-biphenyl]-4-yl]diazenyl]-5-hydroxy-6-(2-phenyldiazenyl)-, sodium salt (1:2);direct black 38;2,7-naphthalenedisulfonic acid, 4-amino-3-[[4'-[(2,4-diaminophenyl)azo][1,1'-biphenyl]-4-yl]azo]-5-hydroxy-6-(phenylazo)-, disodium salt","c1(-c2ccc(N=Nc3c(N)c4c(O)c(N=Nc5ccccc5)c(S(=O)(=O)O{-}.[Na]{+})cc4cc3S(=O)(=O)O{-}.[Na]{+})cc2)ccc(N=Nc2c(N)cc(N)cc2)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","N/A","YES","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP108","meta black; 4-amino-3-[[4'-[(2,4-diaminophenyl)azo][1,1'-biphenyl]-4-yl]azo]-5-hydroxy-6-(phenylazo)-2,7-Naphthalenedisulfonic acid, disodium salt; chrome leather black e; C.I. 30235; C.I. direct blac|||k 38, disodium salt; coir deep black c; columbia bla","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic azo|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Aromatic diazo (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aromatic diazo",1,"Aromatic diazo|H-acceptor-path3-H-acceptor",1]
["96-09-3","styrene oxide;oxirane, 2-phenyl-;(epoxyethyl)benzene;oxirane, phenyl-;2-phenyloxirane;(epoxyethyl)benzene (styreneoxide);phenyloxirane;1,2-epoxyethylbenzene;benzene, (epoxyethyl)-;96-09-3","c1(C2CO2)ccccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","1,2-Epoxyethylbenzene; 1-Phenyl-1,2-Epoxyethane; 2-phenyloxirane; alpha,beta-epoxystyrene; epoxyethylbenzene; epoxystyrene; phenethylene oxide; phenylethylene oxide; Phenyloxirane; Phenyloxirane, d8; |||Styrene-7,8-oxide; Styrene Epoxide; Styrene oxide-d8","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes|SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides",1,"Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Epoxides and aziridines",1,"Epoxides and aziridines",1]
["95-06-7","sulfallate;2-chloroprop-2-en-1-yl diethylcarbamodithioate;carbamodithioic acid, diethyl-, 2-chloro-2-propenyl ester;diethylcarbamodithioic acid 2-chloro-2-propenyl ester;sulfallate vegadex 90 formulation;2-chloroprop-2-en-1-yl diethyldithiocarbamate;carbamodithioic acid, diethyl-, 2-chloro-2-propenyl ester (9ci);95-06-7","C(=C)(Cl)CSC(=S)N(CC)CC","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP115","2-chloro-2-propene-1-thiol diethyldithiocarbamate; 2-chloro-2-propenyl diethylcarbamodithioate; 2-Chloroallyl diethyldithiocarbamate; 2-chloroallyl N,N-diethyldithiocarbamate; diethyldithiocarbamic ac|||id 2-chloroallyl ester; carbamodithioic acid, diethy","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"No alert found",0,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"Alkyl carbamate and thiocarbamate (Genotox)|Monohaloalkene (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Alkyl carbamate and thiocarbamate|Monohaloalkene",1,"Alkyl carbamate and thiocarbamate|H-acceptor-path3-H-acceptor|Monohaloalkene",1]
["542-75-6","1,3-dichloropropene;telone ii, technical grade (with 1% epichlorohydrin);telone ii, technical grade (without epichlorohydrin);telone ii, technical;1,3-dichloropropene (isomer mix);dichloropropene;1,3-dichloropropene [bsi:iso];dichloropropene, 1,3-;1,3-dichloropropene (telone ii);1-propene, 1,3-dichloro-;propene, 1,3-dichloro-;1,3-dichloroprop-1-ene;1,3-dichloro-1-propene;1,3 dichloropropene (3-chloroprop-2-en-ol );1,3 dichloropropene (3-caa metabolite);1,3 dichloropropene 3-chloroallyl alcohol deg;1,3 dichloropropene (telone soil fumigant);1,3 dichloropropene 3-chloroacrylic acid degr;1,3-dichloropropene, mixture","C(Cl)=CCCl","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP269","1,3-Dichloro-1-Propene; 1,3-dichloro-1-propylene; 1,3-Dichloro-2-propene; 1,3-Dichloropropene; 1,3-dichloropropene-1; 1,3-Dichloropropene, E,Z-; 1,3-Dichloropropene (mixed); 1,3-Dichloropropene (mixed||| isomers); 1,3-Dichloropropylene; 1,3-D; 3-Chloroall","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives",1,"SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides",1,"Aliphatic halogens (Genotox)|Monohaloalkene (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives",1,"Aliphatic halogens|Monohaloalkene",1,"Aliphatic halogen|Monohaloalkene",1]
["75-56-9","propylene oxide;1,2-propylene oxide;oxirane, methyl-;propane, 1,2-epoxy-;oxypropylene\"\"\";methyloxirane;1,2-epoxypropane;oxypropylene;2-methyloxirane;methyloxirane(propyleneoxide);oxypropylene\";75-56-9","C1(C)CO1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP267","1,2-Epoxypropane; 1,2-Propylene Oxide; 2,3-epoxypropane; AD 6; ad 6 (suspending agent); epoxypropane; Methyl Ethylene Oxide; methyloxirane; Propene oxide; propylene epoxide.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides",1,"Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Epoxides and aziridines",1,"Epoxides and aziridines",1]
["115-07-1","1-propene;propylene;propene;prop-1-ene;propene, pure","C(=C)C","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP272","1-Propene; 1-Propylene; methylethene; Methylethylene; propene; propylene, various grades.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0]
["6471-49-4","c.i. pigment red 23;pigment red 23;3-hydroxy-4-[(2-methoxy-5-nitrophenyl)azo]-n-(3-nitrophenyl)naphthalene-2-carboxamide;2-naphthalenecarboxamide, 3-hydroxy-4-[(2-methoxy-5-nitrophenyl)azo]-n-(3-nitrophenyl)-;3-hydroxy-4-[(2-methoxy-5-nitrophenyl)diazenyl]-n-(3-nitrophenyl)naphthalene-2-carboxamide;2-naphthalenecarboxamide, 3-hydroxy-4- (2-methoxy-5-nitrophenyl)azo -n-(3-nitrophenyl)-;2-naphthalenecarboxamide, 3-hydroxy-4-Х(2-methoxy-5-nitrophenyl)azoе-n-(3-nitrophenyl)-;2-naphthanilide, 3-hydroxy-4-Х(2-methoxy-5-nitrophenyl)azoе-3'-nitro-c.i. pigment red 23;3-hydroxy-4-{(e)-[2-(methyloxy)-5-nitrophenyl]diazenyl}-n-(3-nitrophenyl)naphthalene-2-carboxamide;2-naphthalenecarboxamide, 3-hydroxy-4-(2-(2-methoxy-5-nitrophenyl)diazenyl)-n-(3-nitrophenyl)-","C(=O)(c1c(O)c(N=Nc2c(OC)ccc(N(=O)=O)c2)c2c(cccc2)c1)Nc1cc(N(=O)=O)ccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","N/A","YES","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP411","1-(2-Methoxy-5-nitrophenylazo)-2-hydroxy-3-(3-nitrophenylcarbamoyl)naphthalene; 3-Hydroxy-4-[(2-methoxy-5-nitrophenyl)azo]-3'-nitro-2-naphthanilide; 3-hydroxy-4-((2-methoxy-5-nitrophenyl)azo)-N-(3-nit||ophenyl)-2-naphthalene carboxamide; alkali resistant","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic azo|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Aromatic diazo (Genotox)|Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aromatic diazo|Nitro-aromatic",1,"Aromatic diazo|H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["117-39-5","quercetin;2-(3,4-dihydroxy-phenyl)-3,5,7-trihydroxy-chromen-4-one;3,3',4',5,7-pentahydroxyflavone;4h-1-benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-;2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4h-chromen-4-one;2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4h-1-benzopyran-4-one;117-39-5","C1(O)C(=O)c2c(O)cc(O)cc2OC=1c1cc(O)c(O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB & NTP409","2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one; 3,3',4',5,7-pentahydroxyflavone; 3',4',5,7-tetrahydroxyflavon-3-ol; 3,5,7,3',4'-pentahydroxyflavone; C.I. 75670; C.I. natural red 1; C.I|||. natural yellow 10; C.I. natural yellow 10 & 13; cy","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones",1,"Quercetin type flavonoids (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["2425-85-6","2-naphthalenol, 1-[2-(4-methyl-2-nitrophenyl)diazenyl]-;c.i. pigment red 3;c. i. pigment red 3;1-(4-methyl-2-nitrophenylazo)-2-naphthol;2-naphthalenol, 1-[(4-methyl-2-nitrophenyl)azo]-;1-[(4-methyl-2-nitrophenyl)diazenyl]naphthalen-2-ol;2-naphthalenol, 1- (4-methyl-2-nitrophenyl)azo -;2-naphthalenol, 1-Х(4-methyl-2-nitrophenyl)azoе-;toluidine red;1-[(e)-(4-methyl-2-nitrophenyl)diazenyl]-2-naphthol;c.i. pigment red 3 (8ci)","c1(O)c(N=Nc2c(N(=O)=O)cc(C)cc2)c2c(cccc2)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","N/A","YES","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP407","1-[(4-methyl-2-nitrophenyl)azo]-2-Naphthalenol; 1-(4-Methyl-2-nitrophenylazo)-2-naphthol; 2-Naphthalenol, 1-(4-Methyl-2-nitrophenylazo)-2-naphthol; accosperse toluidine red xl; adc toluidine red b; ca|||lcotone toluidine red yp; carnelio helio red; chromo","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic azo|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Aromatic diazo (Genotox)|Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aromatic diazo|Nitro-aromatic",1,"Aromatic diazo|H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["105-11-3","p-quinone dioxime;para-benzoquinone dioxime;2,5-cyclohexadiene-1,4-dione, dioxime;p-benzoquinone dioxime;p-benzoquinone, dioxime;benzoquinone dioxime;1,4-benzoquinone dioxime;105-11-3","C1(=NO)C=CC(=NO)C=C1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP179","1,4-Benzoquinone dioxime; 1,4-cyclohexadienedione dioxime; 2,5-cyclohexadiene-1,4-dione dioxime; p-Benzoquinone dioxime, moistened with ca. 30% water; p-Quinone dioxime; actor q; dibenzo pqd; dioxime |||p-benzoquinone; G-M-F; PQD; QDO; quinone dioxime.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Specific Imine and Thione Derivatives|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> N-hydroxylamines|SN2|SN2 >> Diazonium ion formation|SN2 >> Diazonium ion formation >> Specific Imine and Thione Derivatives",1,"No alert found",0,"No alert found",0,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Specific Imine and Thione Derivatives|SN2|SN2 >> Diazonium ion formation|SN2 >> Diazonium ion formation >> Specific Imine and Thione Derivatives",1,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["133-07-3","folpet;n-(trichloromethylthio)phthalimide;1h-isoindole-1,3(2h)-dione, 2-[(trichloromethyl)thio]-;1h-isoindole-1,3(2h)-dione, 2- (trichloromethyl)thio -;phthalimide, n-Х(trichloromethyl)thioе-;1h-isoindole-1,3(2h)-dione, 2-Х(trichloromethyl)thioе-;2-[(trichloromethyl)sulfanyl]-1h-isoindole-1,3(2h)-dione;n(trichloromethylthio)phthalimide(folpetiso);2-[(trichloromethyl)thio]-1h-isoindole-1,3(2h)dione;folpet ortho phaltan 50 wp;folpet phthalimide (degradate);folpet (folpan 80wdg formulation);folpet (folpan 80 wdg formulation);2-[(trichloromethyl)thio]-1h-isoindole-1,3(2h)-dione;1h-isoindole-1,3(2h)-dione, 2-((trichloromethyl)thio)-;133-07-3","C1(=O)c2c(C(=O)N1SC(Cl)(Cl)Cl)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","2-TRICHLOROMETHYLSULFANYL-ISOINDOLE-1,3-DIONE; folpet; folpel","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Heteroatom",1,"No alert found",0,"Alkyl halides (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Heteroatom",1,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["71-55-6","ethane, 1,1,1-trichloro-;1,1,1-trichloroethane;trichloroethane, 1,1,1-;1,1,1-trichloroethane, technical grade;methylchloroform;chlorten\"\"\";chlorten;1,1,1-trichlorethane;methyl chloroform;chlorten\";71-55-6","C(C)(Cl)(Cl)Cl","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","1,1,1-tce; 1,1,1-TRICHLOROETHANE (METHYL CHLOROFORM); 1,1-Trichloroethane; aerothene tt; alpha-trichloroethane; Chlorothene; Chlorothene NU; Chlorothene VG; Methyl Chloroform; Methyltrichloromethane; |||solvent 111; Trichloroethane, 1,1,1-; tri-ethane.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes",1,"No alert found",0,"No alert found",0,"Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes",1,"No alert found",0,"No alert found",0]
["512-56-1","phosphoric acid, trimethyl ester;trimethylphosphate;trimethyl phosphate;methyl phosphatephosphoric acid, trimethyl ester;512-56-1","COP(=O)(OC)OC","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP81","O,O,O-trimethyl phosphate; Methyl phosphate; Phosphoric acid trimethyl ester; Trimethyl orthophosphate.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"No alert found",0,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid|H-acceptor-path3-H-acceptor",1]
["137-17-7","2,4,5-trimethylaniline;trimethylaniline, 2,4,5-;2,4,5trimethylaniline[1];benzenamine, 2,4,5-trimethyl- (9ci)","c1(N)c(C)cc(C)c(C)c1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP160","1,2,4-trimethyl-5-aminobenzene; 1-amino-2,4,5-trimethylbenzene; pseudocumidine; psi-cumidine.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"Primary aromatic amine, hydroxyl amine and its derived esters",1]
["96-18-4","propane, 1,2,3-trichloro-;1,2,3-trichloropropane;trichloropropane;1,2,3trichloropropane;1,2,3-trichloropropane,;96-18-4","C(Cl)(CCl)CCl","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP384","Allyl trichloride; Glycerin trichlorohydrin; glyceroltrichlorohydrin; glyceryl trichlorohydrin; Trichlorohydrin; Trichloropropane, 1,2,3-.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"SN2|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation >> Vicinal Dihaloalkanes",1,"SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> 1,2-Dihaloalkanes",1,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aliphatic halogens",1,"Aliphatic halogen",1]
["1582-09-8","trifluralin;trifluralin, technical grade;benzenamine, 2,6-dinitro-n,n-dipropyl-4-(trifluoromethyl)-;2,6-dinitro-n,n-dipropyl-4-(trifluoromethyl)aniline;2,6-dinitro-n,n-dipropyl-4-(trifluoromethyl)benzenamine;p-toluidine, alpha,alpha,alpha-trifluoro-2,6-dinitro-n,n-dipropyl-;trifluralin (emulsion concentrate)","C(F)(F)(F)c1cc(N(=O)=O)c(N(CCC)CCC)c(N(=O)=O)c1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP34","2,6-Dinitro-N,N-dipropyl-4-(trifluoromethyl)-benzamine; 2,6-Dinitro-N,N-dipropyl-4-(trifluoromethyl)benzenamine; 2,6-dinitro-N,N-dipropyl-4-trifluoromethyl-aniline; 2,6-dinitro-N,N-dipropyl-alpha,alph|||a,alpha-trifluoro-p-toluidine; 4-(di-n-propylamino)-","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["42011-48-3","2,2,2-trifluoro-n-(4-(5-nitro-2-furyl)-2-thiazolyl)acetamide;2,2,2-trifluoro-n-[4-(5-nitro-2-furyl)-2-thiazolyl]acetamide;2,2,2-trifluoro-n-[4-(5-nitrofuran-2-yl)-1,3-thiazol-2-yl]acetamide;acetamide, 2,2,2-trifluoro-n-(4-(5-nitro-2-furanyl)-2-thiazolyl)-","C1(C2=CC=C(N(=O)=O)O2)=CSC(NC(=O)C(F)(F)F)=N1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","-","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Unsaturated heterocyclic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["509-14-8","tetranitromethane;methane, tetranitro-","C(N(=O)=O)(N(=O)=O)(N(=O)=O)N(=O)=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP386","Tetan; TNM.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["137-26-8","thiram;thioperoxydicarbonic diamide ([(h2n)c(s)]2s2), n,n,n',n'-tetramethyl-;tetramethylthiuram disulfide;thioperoxydicarbonic diamide ([(h2n)c(s)]2s2), tetramethyl-;tetramethylthioperoxydicarbonicdiamide;thioperoxydicarbonic diamide, tetramethyl-;disulfide, bis(dimethylthiocarbamoyl);thioperoxydicarbonic diamide, (Õ(h2n)c(s)å2s2), tetramethyl-\"\"\";tetramethylthiuram (thiuram;tmtd);thioperoxydicarbonic diamide, (Х(h2n)c(s)е2s2), tetramethyl-;[disulfanediylbis(carbonothioylnitrilo)]tetramethane;disulfiram(inn);thiram(inn);tetramethylthioperoxydicarbonic diamide ([(h2n)c(s)]2s2);tetramethylthiuramdisulfide;[dithiobis(carbonothioylnitrilo)]tetramethane;tetramethyl-thioperoxydicarbonic diamide;thioperoxydicarbonic diamide, (Х(h2n)c(s)е2s2), tetramethyl-\";thioperoxydicarbonic diamide (((h2n)c(s))2s2), tetramethyl-;137-26-8","C(=S)(N(C)C)SSC(=S)N(C)C","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","Bis(dimethylthiocarbamoyl) disulfide; Thiram","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"No alert found",0,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"Structural alert for nongenotoxic carcinogenicity|Thiocarbonyl (Nongenotox)",1,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["52-24-4","thio-tepa;thiotepa;tris(1-aziridinyl)phosphine sulfide;1,1',1''-phosphorothioyltriaziridine;aziridine, 1,1',1''-phosphinothioylidynetris-;thiotepa(inn);1,1',1''-phosphinothioylidynetrisaziridine;1,1',1\"-phosphinothioylidynetrisaziridine;52-24-4","C1CN1P(=S)(N1CC1)N1CC1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP58","1,1',1''-phosphinothioylidynetrisaziridine; cbc 806495; Tiofozil; Tio-tef; Tris(1-aziridinyl)phosphine sulfide; tris(aziridinyl)phosphine sulfide; Tri(ethyleneimino)thiophosphoramide; Triethylenethiop|||hosphoramide; Triethylenethiophosphorotriamide; Tris","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Aziridines",1,"Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Epoxides and aziridines",1,"Epoxides and aziridines",1]
["8001-35-2","toxaphene;toxaphene (example isomer shown below)","C1(Cl)(Cl)C2(CCl)C(C(Cl)Cl)(CCl)C(C(Cl)C2Cl)C1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","Moderate Quality, Conflict","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP37","M 5055; Agricide; agricide maggot killer (f); alltex; Alltox; attac 4-2; attac 4-4; attac 6; attac 6-3; attac 8; camphechlor; Campheclor; Camphene, chlorinated; camphochlor; camphoclor; camphofene hui|||leux; chem-phene; Chlorocamphene; Chlorinated Camphe","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation >> Vicinal Dihaloalkanes|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes",1,"Acylation|Acylation >> P450 Mediated Activation to Acyl Halides|Acylation >> P450 Mediated Activation to Acyl Halides >> 1,1-Dihaloalkanes|SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> 1,2-Dihaloalkanes|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides",1,"(Poly) Halogenated Cycloalkanes (Nongenotox)|Aliphatic halogens (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes",1,"Aliphatic halogens",1,"Aliphatic halogen",1]
["1156-19-0","tolazamide;n-(azepan-1-ylcarbamoyl)-4-methylbenzenesulfonamide;benzenesulfonamide, n-[[(hexahydro-1h-azepin-1-yl)amino]carbonyl]-4-methyl-;n-[(azepan-1-ylamino)carbonyl]-4-methylbenzenesulfonamide;benzenesulfonamide, n-(((hexahydro-1h-azepin-1-yl)amino)carbonyl)-4-methyl-","c1(S(=O)(=O)NC(=O)NN2CCCCCC2)ccc(C)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP51","1-(hexahydro-1-azepinyl)-3-p-tolylsulfonylurea; 1-(hexahydro-1H-azepin-1-yl)-3-(p-tolylsulfonyl)urea; 4-(p-tolylsulfonyl)-1,1-hexamethylenesemicarbazide; N-(p-toluenesulfonyl)-N'-hexamethyleniminourea|||; N-(((hexahydro-1H-azepin-1-yl)amino)carbonyl)-4-me","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"No alert found",0,"Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Hydrazine",1,"H-acceptor-path3-H-acceptor|Hydrazine",1]
["139-65-1","4,4'-thiodianiline;4,4'-thiobisbenzenamine;benzenamine, 4,4'-thiobis-;aniline, 4,4'-thiodi-;4,4'-sulfanediyldianiline;4,4?thiodianilineanditssalts;4,4'-diaminodiphenylsulfide;139-65-1","c1(Sc2ccc(N)cc2)ccc(N)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP47","p,p'-Diaminodiphenyl Sulfide; bis(p-aminophenyl)sulfide; thioaniline; thiodi-p-phenylenediamine.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"Primary aromatic amine, hydroxyl amine and its derived esters",1]
["100-44-7","benzyl chloride (a-chlorotoluene);benzyl chloride;benzene, (chloromethyl)-;alpha-chlorotoluene;±-chlorotoluene;?-chlorotoluene;(chloromethyl)benzene;toluene, .alpha.-chloro-;?chlorotoluene(benzylchloride);(alpha)-chlorotoluene;α-chlorotoluene;100-44-7","c1(CCl)ccccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","alpha-Chlorotoluene; (chloromethyl)Benzene; Chlorophenylmethane; tolyl chloride; omega-Chlorotoluene.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes|SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides",1,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups",1,"Aliphatic halogens",1,"Aliphatic halogen",1]
["3296-90-0","1,3-propanediol, 2,2-bis(bromomethyl)-;2,2-bis(bromomethyl)-1,3-propanediol;1,3-propanediol, 2,2-bis(brme)-;2,2-bis(bromomethyl)-1,3-propanediol, technical grade;2,2-bis(bromomethyl)propane-1,3-diol;2,2-bis(bromomethyl)-1,3-propandiol;dibromoneopentylglycol","C(CO)(CO)(CBr)CBr","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP452","1,3-dibromo-2,2-dimethylolpropane; dibromohydrin pentaerythritol; bisbromomethylpropanediol; bis(bromomethyl)propanol; Dibromoneopentyl glycol; dibromopentaerythritol; FR-1138; pentaerythritol dibromo|||hydrin; pentaerythritol dibromide.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"No alert found",0,"SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides",1,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aliphatic halogens",1,"Aliphatic halogen",1]
["98-07-7","benzotrichloride;trichlorotoluene;alpha, alpha, alpha-trichlorotoluene (trichloromethylbenzene);±,±,±-trichlorotoluene;?,?,?-trichlorotoluene;benzene, (trichloromethyl)-;toluene, .alpha.,.alpha.,.alpha.-trichloro-;(trichloromethyl)benzene;?,?,?trichlorotoluene;(alpha),(alpha),(alpha)-trichlorotoluene;α,α,α-trichlorotoluene;toluene, alpha,alpha,alpha-trichloro-;98-07-7","C(Cl)(Cl)(Cl)c1ccccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","1-(trichloromethyl)benzene; alpha,alpha,alpha-trichlorotoluene; benzenyl trichloride; Benzoic Trichloride; benzylidyne chloride; Benzylidyne trichloride; benzyl trichloride; Phenyl chloroform; phenyl||| trichloromethane; toluene trichloride; trichlorometh","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes",1,"Alkyl halides (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups",1,"No alert found",0,"No alert found",0]
["111-44-4","ethane, 1,1'-oxybis[2-chloro-;2,2'-dichlorodiethyl ether;bis(2-chloroethyl) ether;bis-2-chloroethylether;bis(2-chloroethyl)ether;2,2'-dichloroethylether;1-chloro-2-(2-chloro-ethoxy)-ethane;ethane, 1,1'-oxybis 2-chloro-;ether, bis(2-chloroethyl);ethane, 1,1'-oxybisХ2-chloro-;ether, bis(chloroethyl);1-chloro-2-(2-chloroethoxy)ethane;bis(2chloroethyl) ether;1,1'-oxybis[2-chloroethane];2,2''-dichlorodiethyl ether;ethane, 1,1'-oxybis(2-chloro-;111-44-4","C(Cl)COCCCl","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","Toxnet","1,1-oxybis[2-chloroethane]; 1,1'-Oxybis(2-Chloroethane); 1,5-Dichloro-3-oxapentane; 1-Chloro-2-(beta-chloroethoxy)ethane; 2,2'-dichlorodiethylether; 2,2'-dichloroethyl ether; 2-chloroethyl ether; beta|||,beta'-dichlorodiethyl ether; beta,beta'-dichloroeth","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Heteroatom",1,"SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides",1,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aliphatic halogens",1,"Aliphatic halogen",1]
["542-88-1","bis(chloromethyl) ether;bis-(chloromethyl)ether;bis(chloromethyl)ether;oxybis[chloromethane];methane, oxybis[chloro-;oxybis(chloromethane);oxybis[chloromethane],bis(chloromethyl) ether;methane, oxybis chloro-;ether, bis(chloromethyl);methane, oxybisХchloro-;542-88-1","C(Cl)OCCl","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB & IARC","1,1'-Dichlorodimethyl Ether; BCME; BIS(2-CHLOROMETHYL) ETHER; Dichlorodimethyl ether, symmetrical; chloromethyl ether; oxybis[chloromethane]; sym-Dichloromethyl Ether.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Alpha-Haloethers|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Heteroatom|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alpha-Haloethers",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Alpha halo ethers (including alpha halo thioethers)",1,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Alpha-Haloethers|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Heteroatom|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alpha-Haloethers",1,"Aliphatic halogens",1,"Aliphatic halogen",1]
["2784-94-3","hc blue no. 1;hc blue no. 1 (purified);hc blue 1;2,2'-[[4-(methylamino)-3-nitrophenyl]imino]bisethanol;ethanol, 2,2'-[[4-(methylamino)-3-nitrophenyl]imino]bis-;2,2'-{[4-(methylamino)-3-nitrophenyl]imino}diethanol;ethanol, 2,2'-((4-(methylamino)-3-nitrophenyl)imino)bis-","c1(NC)c(N(=O)=O)cc(N(CCO)CCO)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP271","1-Methylamino-2-nitro-4-(bis-2-hydroxyethyl)aminobenzene; 2,2'-((4-(methylamino)-3-nitrophenyl)imino)bisethanol; HC Blue 1; N1,N1-Bis(2-hydroxyethyl)-N4-methyl-3-nitro-p-phenylenediamine; N4,N4-bis(2-|||hydroxyethyl)-N1-methyl-2-nitro-p-phenylenediamine;","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro|SN1 >> Nitrenium Ion formation >> Secondary aromatic amine|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine",1,"Aromatic mono-and dialkylamine (Genotox)|Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Aromatic mono-and dialkylamine|Nitro-aromatic",1,"Aromatic mono- and dialkylamine|H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["2475-45-8","c.i. disperse blue 1;1,4,5,8-tetraaminoanthraquinone;disperse blue 1;9,10-anthracenedione, 1,4,5,8-tetraamino-;duranol brilliant blue cb;anthraquinone, 1,4,5,8-tetraamino-;1,4,5,8-tetraamino-9,10-anthraquinone;1,4,5,8tetraaminoanthraquinone(disperse blue1);1,4,5,8-tetraaminoanthracene-9,10-dione;anthraquinone, 1,4,5,8-tetraamino- (8ci)","c12C(=O)c3c(C(=O)c1c(N)ccc2N)c(N)ccc3N","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP299","1,4,5,8-Tetraamino-9,10-anthracenedione; 1,4,5,8-tetraamino-9,10-anthraquinone; 1,4,5,8-Tetraaminoanthraquinone; 1,4,5,8-tetraminoanthraquinone; acetate blue g; acetoquinone blue l; acetoquinone blue ||; acetylon fast blue g; amacel blue gg; amacel pure b","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Quinones (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Primary aromatic amine,hydroxyl amine and its derived esters|Quinones",1,"H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters|Quinones",1]
["95-14-7","1h-benzotriazole;1,2,3-benzotriazole;benzotriazole","c12c(cccc1)N=NN2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP88","1,2,3-triaza-1H-indene; 1,2,3-triazaindene; 1,2-aminoazophenylene; 1H-benzotriazole; 2,3-diazaindole; Azimidobenzene; aziminobenzene; benzene azimide; Benzisotriazole; Benzotriazole; Cobratec 99; cobr|||atec #99; U-6233.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["84-65-1","9,10-anthraquinone;9,10-anthracenedione;anthraquinone;anthracene-9,10-dione","c12C(=O)c3c(C(=O)c1cccc2)cccc3","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP494","9,10-Anthracenedione; 9,10-dihydro-9,10-dioxoanthracene; 9,10-Dioxoanthracene; anthradione; Anthracenedione; Anthracenequinone; Anthrapel; Anthraquinone; corbit; hoelite; morkit.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones",1,"No alert found",0,"Quinones (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones",1,"Quinones",1,"H-acceptor-path3-H-acceptor|Quinones",1]
["320-67-2","5-azacytidine;azacitidine;azacitidine [usan:inn];2-(?-d-ribofuranosyl)-4-amino-1,3,5-triazin-2-one;4-amino-1-(beta-d-ribofuranosyl)-1,3,5-triazin-2(1h)-one;4-amino-1-beta-d-ribofuranosyl-1,3,5-triazin-2(1h)-one","C1(=O)N=C(N)N=CN1C1C(O)C(O)C(CO)O1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","N/A","YES","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","Toxnet","4-amino-1-beta-D-ribofuranosyl-1,3,5-triazin-2(1H)-one; 4-amino-1-beta-D-ribofuranosyl-s-triazin-2(1H)-one; 5-AC; 5-AzaC; 5 AZC; 5-AZCR; Antibiotic u 18496; Azacitidine; Azacytidine; ladakamycin; mylo|||sar; u 18496; wr 183027.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor|Oxolane",1]
["120-78-5","benzothiazole, 2,2'-dithiobis-;2,2'-dibenzothiazolyl disulfide;2,2'-dithiobisbenzothiazole;benzothiazyl disulfide;benzothiazole, 2,2 -dithiobis-;di(benzothiazol-2-yl) disulphide;benzothiazole, 2,2’-dithiobis-;altax;2,2'-disulfanediylbis(1,3-benzothiazole);2,2'-dithiobis(1,3-benzothiazole)","c12c(cccc1)N=C(SSC1=Nc3c(cccc3)S1)S2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","2,2'-Dithiobis[benzothiazole]","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0]
["106-51-4","benzoquinone;benzoquinone, 4-;p-benzoquinone;1,4-benzoquinone;2,5-cyclohexadiene-1,4-dione;p-quinone;106-51-4","C1(=O)C=CC(=O)C=C1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","Quinone","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones",1,"Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated ketones|Michael addition >> Quinones and Quinone-type Chemicals|Michael addition >> Quinones and Quinone-type Chemicals >> Quinones",1,"Quinones (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones",1,"Quinones",1,"H-acceptor-path3-H-acceptor|Quinones",1]
["86-50-0","azinphos-methyl;azinphosmethyl;guthion (azinphos-methyl);methyl azinphos;azinphos methyl;gusathion;o,o-dimethyl s-[(4-oxo-1,2,3-benzotriazin-3(4h)-yl)methyl] phosphorodithioate;phosphorodithioic acid, o,o-dimethyl s-[(4-oxo-1,2,3-benzotriazin-3(4h)-yl)methyl] ester;o,o-dimethyl s-[(4-oxo-1,2,3-benzotriazin-3(4h)-yl)methyl] ester, phosphorodithioic acid;o,o-dimethyl s-[(4-oxo-1,2,3-benzotriazin-3(4h)-yl)methyl] dithiophosphate;phosphorodithioic acid, o,o-dimethyl ester, s-ester with 3-(mercaptomethyl)-1,2,3-benzotriazin-4(3h)-one;86-50-0","C1(=O)c2c(cccc2)N=NN1CSP(=S)(OC)OC","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP69","O,O-dimethyl S-(1,2,3-benzotriazinyl-4-keto)methyl phosphorodithioate; O,O-dimethyl S-(3,4-dihydro-4-keto-1,2,3-benzotriazinyl-3-methyl) dithiophosphate; crysthion 2l; crysthyon; Crysthyon 2L; DBD; go|||thnion; Gusathion; gusathion-20; gusathion 25; gusat","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"No alert found",0,"No alert found",0,"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["33229-34-4","hc blue no. 2;hc blue no. 2 [aka ethanol, 2,2'((4-(2-hydroxyethylamino)-3-nitrophenyl)imino)di-];hc blue 2;hc blue #2;2,2'-[[4-[(2-hydroxyethyl)amino]-3-nitrophenyl]imino]bisethanol;ethanol, 2,2’-[[4-[(2-hydroxyethyl)amino]-3-nitrophenyl]imino]bis-;2,2'-({4-[(2-hydroxyethyl)amino]-3-nitrophenyl}imino)diethanol;ethanol, 2,2'-[[4-[(2-hydroxethyl)amino]-3-nitrophenyl]imino]bis-;ethanol, 2,2'-((4-((2-hydroxyethyl)amino)-3-nitrophenyl)imino)bis- (9ci)","c1(NCCO)c(N(=O)=O)cc(N(CCO)CCO)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP293","2,2'-((4-((2-hydroxyethyl)amino)-3-nitrophenyl)imino)bisethanol; 3-nitro-N(sup 1),N(sup 1),N(sup 4)-tris(2-hydroxyethyl)-p-phenylenediamine; hc blue 2; N1,N4,N4-tris(2-hydroxyethyl)-2-nitro-p-phenylen|||ediamine.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro|SN1 >> Nitrenium Ion formation >> Secondary aromatic amine|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["305-03-3","chlorambucil;chloroambucil;benzenebutanoic acid, 4-[bis(2-chloroethyl)amino]-;4-{4-[bis(2-chloroethyl)amino]phenyl}butanoic acid;4-[bis(2-chloroethyl)amino]benzenbutanone acid;benzenebutanoic acid, 4-(bis(2-chloroethyl)amino)-;305-03-3","c1(N(CCCl)CCCl)ccc(CCCC(=O)O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","4-(p-bis(2-chloroethyl)aminophenyl)butyric acid; 4-(p-bis(beta-chloroethyl)aminophenyl)butyric acid; 4-(p-(N,N-Di-2-chloroethyl)aminophenyl)butyric acid; 4-(p-N,N-Di-(beta-chloroethyl)aminophenyl)buty||ic acid; 4-[bis(2-chloroethyl)amino]benzenebutanoic a","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Nitrogen Mustards",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine|SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> Mustards",1,"S or N mustard (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"S or N mustard",1,"H-acceptor-path3-H-acceptor|S or N mustard",1]
["133-90-4","chloramben;3-amino-2,5-dichlorobenzoic acid;benzoic acid, 3-amino-2,5-dichloro-;133-90-4","C(=O)(O)c1c(Cl)c(N)cc(Cl)c1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP25","2,5-Dichloro-3-aminobenzoic acid; 3-Amino-2,5-dichlorobenzoic acid; ACP M-629; acp-m-728; Ambiben; Amiben; amiben ds; Amiben methyl; amibin; Amoben; Chlorambed; Ornamental Weeder; Vegiben; Weedone Gar|||den Weeder.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["302-17-0","chloral hydrate;choral hydrate;2,2,2-trichloro-1,1-ethanediol;1,1-ethanediol, 2,2,2-trichloro-;2,2,2-trichloroethane-1,1-diol;2,2,2trichloroethane1,1diol","C(Cl)(Cl)(Cl)C(O)O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP502 & 503","1,1,1-trichloro-2,2-ethanediol; 2,2,2-Trichloro-1,1-ethanediol; aquachloral; bi 3411; chloraldurat; dormal; Escre; felsules; hydral; kessodrate; lorinal; Noctec; nortec; nycoton; nycton; phaldrone; re|||ctules; sk-chloral hydrate; somni sed; somnos; sonte","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes",1,"No alert found",0,"Alkyl halides (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes",1,"No alert found",0,"No alert found",0]
["97-00-7","benzene, 1-chloro-2,4-dinitro-;1-chloro-2,4-dinitrobenzene;2,4-dinitrochlorobenzene;2,4-dinitrochlorobenzene (dncb);2,4-dinitrochlorobenzene  (dncb);2,4-dinitrochlorobenzen dncb","c1(Cl)c(N(=O)=O)cc(N(=O)=O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","1,3-Dinitro-4-chlorobenzene; 2,4-Dinitro-1-chlorobenzene; 2,4-Dinitrochlorobenzene; Dinitrochlorobenzene; chlorodinitrobenzene; DNCB.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"Nitro-aromatic",1]
["95-83-0","4-chloro-o-phenylenediamine;4-chloro-benzene-1,2-diamine;4-chloro-orto-phenylenediamine;4-chloro-1,2-benzenediamine;4-chloro-1,2-diaminobenzene;4-chloro-o-phenylendiamine;2-amino-4-chloroaniline;1,2-benzenediamine, 4-chloro-;o-phenylenediamine, 4-chloro-;4-chlorobenzene-1,2-diamine","c1(N)c(N)cc(Cl)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP63","1,2-diamino-4-chlorobenzene; 1-chloro-3,4-diaminobenzene; 2-amino-4-chloroaniline; 3,4-diamino-1-chlorobenzene; 3,4-diaminochlorobenzene; 4-chloro-1,2-Benzenediamine; 4-chloro-1,2-diaminobenzene; p-ch|||loro-1,2-phenylenediamine; 4-cl-o-pd; C.I. 76015; ur","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["88-73-3","benzene, 1-chloro-2-nitro-;chloro-2-nitrobenzene, 1-;o-chloronitrobenzene;2-chloro-1-nitrobenzene;1-chloro-2-nitrobenzene;88-73-3","c1(Cl)c(N(=O)=O)cccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","2-chloro-1-nitrobenzene; o-chloronitrobenzene; 2-CNB; 2-Nitrochlorobenzene; Oncb.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"Nitro-aromatic",1]
["5131-60-2","4-chloro-m-phenylenediamine;4-chloro-meta-phenylenediamine;1,3-benzenediamine, 4-chloro-;4-chlorobenzene-1,3-diamine;m-phenylenediamine, 4-chloro-","c1(Cl)c(N)cc(N)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP85","1-chloro-2,4-diaminobenzene; 4-chloro-1,3-Benzenediamine; 4-chloro-1,3-diaminobenzene; 4-chloro-1,3-phenylenediamine; 4-chlorophenyl-1,3-diamine; 4-chlorophenylene-1,3-diamine; 4-chlorophenylenediamin|||e; 4-cl-m-pd; C.I. 76027.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"Primary aromatic amine, hydroxyl amine and its derived esters",1]
["100-00-5","benzene, 1-chloro-4-nitro-;1-chloro-4-nitrobenzene;chloro-4-nitrobenzene, 1-;p-chloronitrobenzene;4-chloronitrobenzene;1chloro4nitrobenzene;100-00-5","c1(Cl)ccc(N(=O)=O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","1,4-Chloronitrobenzene; 4-chloro-1-nitrobenzene; 4-chloronitrobenzene; 4-Nitrochlorobenzene; para-NITROCHLOROBENZENE (1-CHLORO-4-NITROBENZENE); nitrochlorobenzene; PNCB.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"Nitro-aromatic",1]
["74-96-4","bromoethane;ethyl bromide;ethane, bromo-;bromoethane(ethyl bromide);ethylbromide;74-96-4","C(C)Br","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP363","1-Bromoethane; bromic ether; Ethyl bromide; halon 2001; hydrobromic ether; Monobromoethane.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Monohaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Monohaloalkanes|SN2 >> Ring opening SN2 reaction|SN2 >> Ring opening SN2 reaction >> Monohaloalkanes",1,"SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides",1,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Monohaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Monohaloalkanes|SN2 >> Ring opening SN2 reaction|SN2 >> Ring opening SN2 reaction >> Monohaloalkanes",1,"Aliphatic halogens",1,"Aliphatic halogen",1]
["106-99-0","1,3-butadiene;butadiene;buta-1,3-diene;buta1,3diene,seealsoentries464611","C(=C)C=C","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB & NTP434","1,3-butadiene, various grades; alpha-gamma-butadiene; Biethylene; bivinyl; Buta-1,3-diene; Butadiene; Butadiene, 1,3-; erythrene; Pyrrolylene; vinyl ethylene.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0]
["540-51-2","ethylene bromohydrin;2-bromo-1-ethanol;bromoethanol;2-bromoethanol;ethanol, 2-bromo-;ethylene bromohydrin  (2-bromoethanol)","C(Br)CO","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","2-Bromo-1-ethanol; 2-Bromoethanol; beta-bromoethyl alcohol; Ethylene Bromohydrin; glycol bromohydrin.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Elimination (E2)|Elimination (E2) >> E2 elimination reaction with epoxide formation|Elimination (E2) >> E2 elimination reaction with epoxide formation >> Haloalcohols|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Haloalcohols",1,"SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides",1,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Elimination (E2)|Elimination (E2) >> E2 elimination reaction with epoxide formation|Elimination (E2) >> E2 elimination reaction with epoxide formation >> Haloalcohols|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Haloalcohols",1,"Aliphatic halogens",1,"Aliphatic halogen",1]
["133-06-2","captan;1h-isoindole-1,3(2h)-dione, 3a,4,7,7a-tetrahydro-2-[(trichloromethyl)thio]-;captan 90-concentrate  (solid);2-[(trichloromethyl)sulfanyl]-3a,4,7,7a-tetrahydro-1h-isoindole-1,3(2h)-dione;n(trichloromethylthio)4cyclohexene1,2dicarboximide(captaniso);3a,4,7,7a-tetrahydro-2-[(trichloromethyl)thio]-1h-isoindole-1,3-(2h)-dione;captan/hexachlorobenzene mixture;captan/zineb mixture;captan (thpi degradate);captan (thpam metabolite);2-[(trichloromethyl)thio]-3a,4,7,7a-tetrahydro-1h-isoindole-1,3(2h)-dione;captans;1h-isoindole-1,3(2h)-dione, 3a,4,7,7a-tetrahydro-2-((trichloromethyl)thio)-;133-06-2","C1(=O)C2C(C(=O)N1SC(Cl)(Cl)Cl)CC=CC2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP15","1,2,3,6-tetrahydro-N-(trichloromethylthio)phthalimide; Orthocide; captex; Captol; Catanex; Dangard; essofungicide 406; flit 406; fungus ban type ii; glyodex 3722; granox pfm; gustafson captan 30-dd; h|||exacap; Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydr","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Heteroatom",1,"No alert found",0,"Alkyl halides (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Heteroatom",1,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["404-86-4","capsaicin;6-nonenamide, n- (4-hydroxy-3-methoxyphenyl)meth;6-nonenamide, n- (4-hydroxy-3-methoxyphenyl)methyl -8-methyl-, (e)-;6-nonenamide, 8-methyl-n-vanillyl-, (e)-;6-nonenamide, n-((4-hydroxy-3-methoxyphenyl)methyl)-8-methyl-, (e)-;\"\"capsaicin;6-nonenamide, n-((4-hydroxy-3-methoxyphenyl)methyl)-8-methyl-, (e)-\"\"\";6-nonenamide, n-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methyl-, (e)-;6-nonenamide, n-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methyl-, (6e)-;(6e)-n-(4-hydroxy-3-methoxybenzyl)-8-methylnon-6-enamide;(6e)-n-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methyl-6-nonenamide;(6e)-n-{[4-hydroxy-3-(methyloxy)phenyl]methyl}-8-methylnon-6-enamide","c1(O)c(OC)cc(CNC(=O)CCCCC=CC(C)C)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","N/A","YES","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","6-Nonenamide, N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methyl-, (E)-; 8-Methyl-N-vanillyl-6-nonenamide, (E)-; Nonenamide, 8-methyl-N-vanillyl-, (E)-; Nonenamide, N-((4-hydroxy-3-methoxyphenyl)methyl)-8|||-methyl-, (E)-; Zostrix.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["92-67-1","4-aminobiphenyl (4-phenylaniline);4-aminobiphenyl;biphenyl-4-ylamine;4-aminodiphenyl;4-biphenylamine;4-amino-1,1’-biphenyl [4-aminobiphenyl];4-amino-1,1'-biphenyl;4-aminobiphenyl\"\";biphenyl-4-ylamine\";[1,1'-biphenyl]-4-amine;biphenyl-4-amine;biphenyl4ylamine (4aminobiphenyl)anditssalts;4-aminobiphenyl\";(1,1'-biphenyl)-4-amine","c1(-c2ccc(N)cc2)ccccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","[1,1'-Biphenyl]-4-amine; 4-Biphenylamine; p-phenylaniline; p-xenylamine; Aminobiphenyl; Xenylamine.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"Primary aromatic amine, hydroxyl amine and its derived esters",1]
["100-01-6","benzenamine, 4-nitro-;4-nitroaniline;nitroaniline, 4-;nitroaniline, p-;p-nitroaniline;4-nitro-phenylamine;4-nitro-aniline;aniline, p-nitro-;4-nitrobenzenamine;100-01-6","c1(N)ccc(N(=O)=O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP418 & CPDB","1-amino-4-nitrobenzene; p-aminonitrobenzene; nitrazol cf extra; PNA; red 2g base; shinnippon fast red gg base; 4-Nitroanilene; 4-nitrobenzenamine; p-nitrophenylamine; azoamine red 2H; azofix red gg sa|||lt; azoic diazo component 37; diazo fast red gg; C.I","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Nitro-aromatic (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic|Primary aromatic amine,hydroxyl amine and its derived esters",1,"Nitro-aromatic|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["95-80-7","1,3-benzenediamine, 4-methyl-;diaminotoluene, 2,4-;2,4-diaminotoluene;2,4-toluenediamine;4-methyl-1,3-benzenediamine;4-methyl-m-phenylenediamine;toluene-2,4-diamine;4-methylbenzene-1,3-diamine;4methylmphenylenediamine(toluene2,4diamine)anditssalts;4-methylphenylene-1,3-diamine","c1(C)c(N)cc(N)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP162","1,3-diamino-4-methylbenzene; 2,4-diamino-1-methylbenzene; developer mtd; developer t; eucanine gb; fouramine; fouramine j; fourrine 94; fourrine m; MTD; nako tmt; pelagol grey j; pelagol j; pontamine |||developer tn; renal md; Toluene-2,4-Diamine; toluene","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"Primary aromatic amine, hydroxyl amine and its derived esters",1]
["106-49-0","benzenamine, 4-methyl-;4-methylaniline (4-toluidine);p-toluidine;p-toluidine hydrochloride;p-tolylamine;p-methylaniline;4-methylaniline;4-methyl-aniline;4-toluidine;106-49-0","c1(N)ccc(C)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","4-aminotoluene hydrochloride; p-toluidinium chloride.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011","540-23-8","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"Primary aromatic amine, hydroxyl amine and its derived esters",1]
["140-49-8","4'-(chloroacetyl)acetanilide;4'-(chloroacetyl)-acetanilide;(chloroacetyl)-acetanilide, 4'-;4'-(chloroacetyl) acetanilide;n-[4-(chloroacetyl)phenyl]acetamide;acetamide, n-[4-(chloroacetyl)phenyl]-;acetamide, n- 4-(chloroacetyl)phenyl -;acetanilide, 4'-(chloroacetyl)-;acetamide, n-Х4-(chloroacetyl)phenylе-;acetamide, n-(4-(chloroacetyl)phenyl)-;140-49-8","C(=O)(c1ccc(NC(C)=O)cc1)CCl","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP177","p-acetamidophenacyl chloride; p-(acetylamino)phenacyl chloride; 4'-(Chloroacetyl)-acetanilide; Acetamide, N-[4-(chloroacetyl)phenyl]-.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups",1,"No alert found",0,"Aliphatic halogens (Genotox)|Aromatic N-acyl amine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups",1,"Aliphatic halogens|Aromatic N-acyl amine",1,"Aliphatic halogen|Aromatic N-acyl amine|H-acceptor-path3-H-acceptor",1]
["108-60-1","propane, 2,2'-oxybis[1-chloro-;bis (1-methyl-2-chloroethyl) ether;dcip  (2,2'-oxybis-1-chloropropane);bis(2-chloro-1-methylethyl)ether, technical grade;bis(2-chloro-1-methylethyl) ether;dichloroisopropylether;bis(2-chloro-1-methyl-ethyl)ether, technical grade;bis(2-chloro-1-methylethyl)ether;propane, 2,2'-oxybis 1-chloro-;ether, bis(2-chloro-1-methylethyl);propane, 2,2'-oxybisХ1-chloro-;2,2'-oxybis(1-chloropropane);bis(1-methyl-2-chloroethyl)ether;108-60-1","C(C)(CCl)OC(C)CCl","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB & NTP239","2,2'-oxybis[1-chloropropane]; (2-chloro-1-methylethyl) ether; beta,beta'-dichlorodiisopropyl ether; bis(1-chloro-2-propyl) ether; Bis(1-methyl-2-chloroethyl)ether; bis(beta-chloroisopropyl)ether; dich|||lorodiisopropyl ether; bis-chloroisopropyl ether; DC","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Heteroatom",1,"SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides",1,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aliphatic halogens",1,"Aliphatic halogen",1]
["117-80-6","2,3-dichloro-1,4-napthalenedione;1,4-naphthalenedione, 2,3-dichloro-;2,3-dichloro-1,4-naphthoquinone;dichlone;1,4-naphthoquinone, 2,3-dichloro-;2,3-dichloro-1,4-naphthalenedione;2,3-dichloronaphthalene-1,4-dione","C1(Cl)C(=O)c2c(C(=O)C=1Cl)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","2,3-Dichloro-1,4-naphthalenedione; dichlone; Dichloro-1,4-naphthoquinone; Phygon; Phygon XL; Quintar.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives",{"$f":"IF(X130=\"No alert found\",0,1)","v":1},"Michael addition|Michael addition >> Quinones and Quinone-type Chemicals|Michael addition >> Quinones and Quinone-type Chemicals >> Quinones",{"$f":"IF(Z130=\"No alert found\",0,1)","v":1},"Quinones (Genotox)|Structural alert for genotoxic carcinogenicity",{"$f":"IF(AB130=\"No alert found\",0,1)","v":1},"SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives",{"$f":"IF(AD130=\"No alert found\",0,1)","v":1},"Quinones",{"$f":"IF(AF130=\"No alert found\",0,1)","v":1},"H-acceptor-path3-H-acceptor|Quinones",{"$f":"IF(AH130=\"No alert found\",0,1)","v":1}]
["57-06-7","allyl isothiocyanate;3-isothiocyanato-1-propene;isothiocyanic acid, allyl ester;1-propene, 3-isothiocyanato-;1-propene, 3-isothiocyanato-\"\"\";3-isothiocyanatoprop-1-ene;allylisothiocyanate;1-propene, 3-isothiocyanato-\";57-06-7","C(=S)=NCC=C","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP234","2-propenyl isothiocyanate; 3-Isothiocyanato-1-Propene; 3-isothiocyanatopropene; AITC; AITK; allyl isorhodanide; Allyl Isosulfocyanate; Allyl isothiocyanate, inhibited; Allyl Mustard Oil; allylsenevol;||| allyl sevenolum; allyl thiocarbonimide; artificial","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"No alert found",0,"Acylation|Acylation >> Isocyanates and Isothiocyanates|Acylation >> Isocyanates and Isothiocyanates >> Isothiocyanates",1,"Isocyanate and isothiocyanate groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Isocyanate and isothiocyanate groups",1,"Isocyanate and isothiocyanate groups",1]
["53-96-3","2-acetylaminofluorene;n-2-fluorenylacetamide;2-acetylaminofluorene [2-acetaminofluorene] [2,fluorenyl acetamide (2-faa)];n-fluoren-2-ylacetamide;2-acetylaminofluorene (2-aaf);acetamide, n-9h-fluoren-2-yl-;n-(9h-fluoren-2-yl)acetamide;n-9h-fluoren-2-ylacetamide","c12-c3c(cc(NC(C)=O)cc3)Cc1cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","2-AAF; 2-Acetamidofluorene; 2-acetaminofluorene; 2-FAA; 2-fluorenylacetamide; AAF; Acetamidofluorene; acetoaminofluorene; FAA; Fluorenylacetamide; N-2-Fluorenyl Acetamide; N-9H-fluoren-2-yl-Acetamide;||| N-Acetyl-2-aminofluorene; N-Fluoren-2-yl acetamide.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"No alert found",0,"No alert found",0,"Aromatic N-acyl amine (Genotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aromatic N-acyl amine|Polycyclic Aromatic Hydrocarbons",1,"Aromatic N-acyl amine|H-acceptor-path3-H-acceptor|Polycyclic Aromatic Hydrocarbons",1]
["50-32-8","benzo(a)pyrene;benzo[a]pyrene;benzopyrene;3,4-\"\";3,4-\";benzo[def]chrysene;benzo(a)pyrene (bap);benzo[pqr]tetraphene;benzo[def]chrysene(benzo[a]pyrene)","c12c3c4c(c5c(cc4ccc3ccc1)cccc5)cc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","3,4-benz[a]pyrene; 3,4-Benzopyrene; 3,4-Benzpyrene; 3,4-benzylpyrene; 3,4-BP; 6,7-Benzopyrene; B[A]P; Benzo[a]pyrene; Benzo[d,e,f]chrysene; Benzpyrene; BP.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition|SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1",1,"Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1]
["75-09-2","methane, dichloro-;dichloromethane;methylene chloride;methylene chloride [usan];75-09-2","C(Cl)Cl","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP306","Aerothene MM; DCM; Freon 30; Methane dichloride; Methylene dichloride; Methylene chloride; METHYLENE CHLORIDE (DICHLOROMETHANE); narkotil; Plastisolve; R 30; Refrigerant 30; solaesthin; solmethine.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes",1,"No alert found",0,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes",1,"Aliphatic halogens",1,"Aliphatic halogen",1]
["62-23-7","4-nitrobenzoic acid;p-nitrobenzoic acid;4-nitro-benzoic acid;p-nitro-benzoic acid;benzoic acid, 4-nitro-;benzoic acid, p-nitro-;62-23-7","C(=O)(O)c1ccc(N(=O)=O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP442","1-carboxy-4-nitrobenzene; p-nitrobenzenecarboxylic acid; 4-nitrodracylic acid; PNBA.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["59-89-2","morpholine;n-nitrosomorpholine;nitrosomorpholine;4-nitrosomorpholine;morpholine, n-nitroso-;59-89-2;<i>n</i>-nitroso","C1CN(N=O)CCO1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","4-nitrosomorpholine; Nitrosomorpholine; NMOR.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2",1,"Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"Alkyl and aryl N-nitroso groups",1,"Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor",1]
["62-44-2","n-(4-ethoxyphenyl)acetamide;n-acetyl-4-ethoxyaniline;4-ethoxyaniline;phenacetin;p-phenacetin;acetamide, n-(4-ethoxyphenyl)-;4-ethoxyacetanilide;acetophenetidin;p-acetophenetidide;n-[4-(ethyloxy)phenyl]acetamide;acetamide, n-(4-ethoxyphenol)-;62-44-2;<i>n</i>-ac","c1(OCC)ccc(NC(C)=O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","1-acetamido-4-ethoxybenzene; para-Acetophenetidide; p-acetophenetidine; p-acetophenetide; p-acetphenetidin; paracetophentidin; p-Ethoxyacetanilide; 4'-ethoxyacetanilide; Para-phenacetin; acet-p-phenal|||ide; acet-p-phenetidin; aceto-para-phenalide; aceto-","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"No alert found",0,"No alert found",0,"Aromatic N-acyl amine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aromatic N-acyl amine",1,"Aromatic N-acyl amine|H-acceptor-path3-H-acceptor",1]
["107-05-1","1-propene, 3-chloro-;allylchloride;allyl chloride;3-chloropropylene;3-chloro-1-propene;3-chloropropene;propene, 3-chloro-;3-chloroprop-1-ene;(3chloropropene);107-05-1","C(=C)CCl","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP73","1-chloro-2-propene; 1-chloro propene-2; 2-propenyl chloride; 3-chloro-1-propene; 3-chloro-1-propylene; 3-chloroprene; 3-Chloropropene; 3-chloropropene-1; 3-chloropropylene; Alpha-chloropropylene; Chlo||oallylene; Chloropropene.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups",1,"SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides",1,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups",1,"Aliphatic halogens",1,"Aliphatic halogen",1]
["106-92-3","allyl glycidyl ether;oxirane, 2-[(2-propen-1-yloxy)methyl]-;oxirane,  (2-propenyloxy)methyl -;2-propenyloxy-2,3-epoxypropane;oxirane, (2-propenyloxy)methyl -;propane, 1-(allyloxy)-2,3-epoxy-;oxirane, Õ(2-propenyloxy)methylå-\"\"\";allyl 2,3-epoxypropyl ether;oxirane, [(2-propenyloxy)methyl]-;oxirane, Х(2-propenyloxy)methylе-;2-[(allyloxy)methyl]oxirane;oxirane, Х(2-propenyloxy)methylе-\";propane, 1-(allyloxy)-2,3-epoxy- (8ci);106-92-3","C(=C)COCC1CO1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP376","1,2-Epoxy-3-Allyloxypropane; 1-allyloxy-2,3-epoxypropane; [(2-propenyloxy)methyl]oxirane; AGE; Allyl 2,3-epoxypropyl ether; Allyl Glycidyl Ether-Ethylene Glycol Prepolymer(18/1).","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides",1,"Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Epoxides and aziridines",1,"Epoxides and aziridines|H-acceptor-path3-H-acceptor",1]
["3688-53-7","furylfuramide;af-2;2-(2-furyl)-3-(5-no2furyl)acrylamide;furylfuramide (af-2);2-(2-furyl)-3-(5-nitro-2-furyl)acrylamide;2-(2-furyl)-3-(5-nitro-2-furyl) acrylamide;(2z)-2-(furan-2-yl)-3-(5-nitrofuran-2-yl)prop-2-enamide;2-furanacetamide, alpha-((5-nitro-2-furanyl)methylene)- (9ci)","C(N)(=O)C(C1=CC=CO1)=CC1=CC=C(N(=O)=O)O1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","N/A","YES","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide; 2-(2-furyl)-3-(5-nitro-2-furyl)acrylic acid amide; alpha-2-furyl-5-nitro-2-furanacrylamide; alpha-((5-nitro-2-furanyl)methylene)-2-furanacetamide; alpha-(fur|||yl)-beta-(5-nitro-2-furyl)acrylic amide; (E)-2-(2-Fu","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Michael addition|Michael addition >> P450 Mediated Activation of Heterocyclic Ring Systems|Michael addition >> P450 Mediated Activation of Heterocyclic Ring Systems >> Furans|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated amides|SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Unsaturated heterocyclic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["1162-65-8","aflatoxin b1;(6ar-cis)-2,3,6a,9a-tetrahydro-4-methoxycyclopenta[c]furo[3',2':4,5]furo[2,3-h][1]benzopyran-1,11-dione;2,3,6a±,9a±-tetrahydro-4-methoxycyclopenta[c]furo[2',3':4,5]furo[2,3-h]chromene-1,11-dione;2,3,6a?,9a?-tetrahydro-4-methoxycyclopenta[c]furo[2',3':4,5]furo[2,3-h]chromene-1,11-dione;4-methoxy-2,3,6a,9a-tetrahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromene-1,11-dione;4-(methyloxy)-2,3,6a,9a-tetrahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromene-1,11-dione;cyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-1,11-dione, 2,3,6a,9a-tetrahydro-4-methoxy-, (6ar,9as)-;1162-65-8;aflatoxin b<sub>1</sub>;(-)-form","C1(=O)C2C(=O)CCC=2c2c(c3c(cc2OC)OC2C3C=CO2)O1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","N/A","YES","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","2,3,6a,9a-tetrahydro-4-methoxycyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzo-pyran-1,11-dione; AFB1; AFBI; aflatoxin b; Aflatoxin B1, crystalline.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Generation of reactive oxygen species|Radical >> Generation of reactive oxygen species >> Coumarins|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Coumarins",1,"No alert found",0,"Coumarins and Furocoumarins (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Coumarins and Furocoumarins",1,"1,3-dialkoxy-benzene|Coumarins and Furocoumarins|H-acceptor-path3-H-acceptor",1]
["81-49-2","1-amino-2,4-dibromoanthraquinone;1-amino-2,4-dibromo anthraquinone;9,10-anthracenedione, 1-amino-2,4-dibromo-;anthraquinone, 1-amino-2,4-dibromo-;1-amino-2,4-dibromoanthracene-9,10-dione;1-amino-2,4-dibromo-9,10-anthraquinone","c12C(=O)c3c(C(=O)c1c(N)c(Br)cc2Br)cccc3","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP383","1-amino-2,4-dibromo-9,10-Anthracenedione; 2,4-dibromo-1-anthraquinonylamine.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"No alert found",0,"Quinones (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones",1,"Quinones",1,"H-acceptor-path3-H-acceptor|Quinones",1]
["119-34-6","4-amino-2-nitrophenol;amino-3-nitro-4-hydroxybenzene, 1-;4-amino-2-nitro-phenol;phenol, 4-amino-2-nitro-;4amino2nitrophenol;119-34-6","c1(O)c(N(=O)=O)cc(N)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP94","o-nitro-p-aminophenol; 3-nitro-4-hydroxyaniline; p-Aminonitrophenol; 4-hydroxy-3-nitroaniline; C.I. 76555; C.I. oxidation base 25; fourrine 57; fourrine brown pr; fourrine brown propyl; oxidation base||| 25.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Nitro-aromatic (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic|Primary aromatic amine,hydroxyl amine and its derived esters",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["121-88-0","2-amino-5-nitrophenol;amino-5-nitrophenol, 2-;phenol, 2-amino-5-nitro-;2amino5nitrophenol;n.c.i. c55970;phenol, 2-amino-5-nitro- (8ci)(9ci)","c1(N)c(O)cc(N(=O)=O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP334","2-hydroxy-4-nitroaniline; 5-nitro-2-aminophenol; C.I. 76535; rodol yba; ursol yellow brown a.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Nitro-aromatic (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic|Primary aromatic amine,hydroxyl amine and its derived esters",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["97-56-3","2-methyl-4-[(2-methylphenyl)azo]benzenamine;o-aminoazotoluene;ortho-aminoazotoluene;2-amino-5-azotoluene [o-aminoazotoluene];solvent yellow 3;4-o-tolylazo-o-toluidine;benzenamine, 2-methyl-4-[(2-methylphenyl)azo]-;2-methyl-4-[(e)-(2-methylphenyl)diazenyl]aniline;4otolylazootoluidine;c.i. solvent yellow 3 (8ci)","c1(N)c(C)cc(N=Nc2c(C)cccc2)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","N/A","YES","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","2',3-dimethyl-4-aminoazobenzene; O-AAT; oil yellow 2681; oil yellow 2R; oil yellow a; oil yellow at; oil yellow c; oil yellow i; oil yellow t; organol yellow 2t; solvent yellow 3; somalia yellow r; su|||dan yellow rra; toluazotoluidine; tulabase fast garn","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic azo|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Aromatic diazo (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Aromatic diazo|Primary aromatic amine,hydroxyl amine and its derived esters",1,"Aromatic diazo|H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["117-79-3","9,10-anthracenedione, 2-amino-;2-aminoanthraquinone;2-amino-anthraquinone;anthraquinone, 2-amino-;2-aminoanthracene-9,10-dione;2-amino-9,10-anthracenedione;2-amino-9,10-anthraquinone","c12C(=O)c3c(C(=O)c1cc(N)cc2)cccc3","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP144","2-amino-9,10-Anthracenedione; 2-amino-9,10-anthraquinone; AAQ; aminoanthraquinone; beta-aminoanthraquinone; beta-anthraquinonylamine.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Quinones (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Primary aromatic amine,hydroxyl amine and its derived esters|Quinones",1,"H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters|Quinones",1]
["82-28-0","1-amino-2-methylanthraquinone;1-amino-2-methyl-9,10-anthracenedione;9,10-anthracenedione, 1-amino-2-methyl-;anthraquinone, 1-amino-2-methyl-;c.i. disperse orange 11\"\"\";1-amino-2-methylanthracene-9,10-dione","c12C(=O)c3c(C(=O)c1c(N)c(C)cc2)cccc3","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP111","1-Amino-2-methyl-9,10-Anthracenedione; 2-Methyl-1-anthraquinonylamine; Acetate Fast Orange R; acetoquinone light orange jl; artisil orange 3RP; disperse orange; celliton orange r; C.I. 60700; C.I. Dis|||perse Orange 11; cilla orange r; duranol orange g; F","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"No alert found",0,"Quinones (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Quinones",1,"H-acceptor-path3-H-acceptor|Quinones",1]
["17026-81-2","3-amino-4-ethoxyacetanilide;3'-amino-4'-ethoxyacetanilide;amino-4-ethoxy-acetanilide, 3-;n-(3-amino-4-ethoxyphenyl)acetamide;acetamide, n-(3-amino-4-ethoxyphenyl)-;p-acetophenetidide, 3'-amino-;n-[3-amino-4-(ethyloxy)phenyl]acetamide","c1(OCC)c(N)cc(NC(C)=O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP112","N-(3-amino-4-ethoxyphenyl)acetamide.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Aromatic N-acyl amine (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aromatic N-acyl amine|Primary aromatic amine,hydroxyl amine and its derived esters",1,"Aromatic N-acyl amine|H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["99-57-0","2-amino-4-nitrophenol;amino-4-nitrophenol, 2-;phenol, 2-amino-4-nitro-;2amino4nitrophenol;99-57-0","c1(O)c(N)cc(N(=O)=O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP339","2-hydroxy-5-nitroaniline; 3-amino-4-hydroxynitrobenzene; p-nitro-o-aminophenol; C.I. 76530; ursol 4gl.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Nitro-aromatic (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic|Primary aromatic amine,hydroxyl amine and its derived esters",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["107-02-8","acrolein (2-propenal);acrolein;2-propenal;acrylaldehyde;107-02-8","C(=O)C=C","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","2-Propen-1-one; 2-propenal; acquinite; Acraldehyde; acrylaldehyde; Acrylic aldehyde; Allyl aldehyde; aqualine; biocide; crolean; ethylene aldehyde; magnacide; magnacide h; Magnacide H and B; prop-2-en|||-1-al; prop-2-enal; propenal; Propenaldehyde; propyl","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Michael addition|Michael addition >> alpha, beta-unsaturated carabonyl compounds|Michael addition >> alpha, beta-unsaturated carabonyl compounds >> Alpha, Beta-Unsaturated Aldehydes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Alpha, Beta-Unsaturated Aldehydes",1,"Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated aldehydes",1,"alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Michael addition|Michael addition >> alpha, beta-unsaturated carabonyl compounds|Michael addition >> alpha, beta-unsaturated carabonyl compounds >> Alpha, Beta-Unsaturated Aldehydes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Alpha, Beta-Unsaturated Aldehydes",1,"alpha,beta-unsaturated carbonyls",1,"alpha,beta-unsaturated carbonyls",1]
["103-33-3","azobenzene;aminoazobenzene;diazene, diphenyl-;(e)-diphenyldiazene;103-33-3","c1(N=Nc2ccccc2)ccccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","N/A","YES","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP154","1,2-Diphenyldiazene; azobenzide; azobenzol; azobisbenzene; azodibenzeneazofume; azofume; benzeneazobenzene; benzofume; diazobenzene; Diphenyldiazene; diphenyl diimide.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"No alert found",0,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic azo",1,"Aromatic diazo (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aromatic diazo",1,"Aromatic diazo|H-acceptor-path3-H-acceptor",1]
["614-00-6","n-methyl-n-nitrosoaniline;nitrosomethylaniline;n-methyl-n-nitrosobenzeneamine;benzenamine, n-methyl-n-nitroso-;aniline, n-methyl-n-nitroso-\"\"\";aniline, n-methyl-n-nitroso-;n-methyl-n-nitrosobenzenamine;aniline, n-methyl-n-nitroso-\";614-00-6","c1(N(C)N=O)ccccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","Methyl-phenyl-nitrosamine; N-Methyl-N-nitrosoaniline; N-methyl-N-nitrosobenzenamine; N-NITROSO-N-METHYLANILINE.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2",1,"Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"Alkyl and aryl N-nitroso groups",1,"Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor",1]
["114-83-0","1-acetyl-2-phenylhydrazine;n(1)-acetylphenylhydrazine;2'-phenylacetohydrazide;acetic acid, 2-phenylhydrazide;2-phenylhydrazide acetic acid;n'-phenylacetohydrazide","c1(NNC(C)=O)ccccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","2-Phenylacetohydrazide; acetic acid 2-phenylhydrazide; acetic acid phenylhydrazide; acetylphenylhydrazine; APH; beta-acetylphenylhydrazine; hydracetin; N-Acetyl-N'-phenylhydrazine; N'-phenylacethydraz|||ide; pyrodine.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"No alert found",0,"No alert found",0,"Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Hydrazine",1,"H-acceptor-path3-H-acceptor|Hydrazine",1]
["26148-68-5","2-amino-9h-pyrido[2,3-b]indole;a-alpha-c;2-amino-9h-pyrido(2,3-b)indole;9h-pyrido[2,3-b]indol-2-amine;9h-pyrido(2,3-b)indole, 2-amino-","c12-c3c(cccc3)Nc1nc(N)cc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","2-Amino-9H-pyrido[2,3-b]indole; Ac; Amino-alpha-carboline.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Heterocyclic Polycyclic Aromatic Hydrocarbons|Primary aromatic amine,hydroxyl amine and its derived esters",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["121-14-2","2,4-dinitrotoluene;dinitrotoluene, 2,4-;2,4-dinitrotoluene (containing 1.0-1.5% 2,6-dinitrotoluene);2,4-dinitrotoluene (containing 0.5% 2,6-dinitrotoluene);2,4-dinitrotoluene, practical grade;benzene, 1-methyl-2,4-dinitro-;2,4-dinitro-1-methylbenzene;2,4-dinitrotoluene (purified);toluene, 2,4-dinitro-;1-methyl-2,4-dinitrobenzene;2,4dinitrotoluene;dinitrotoluene,technical grade","c1(C)c(N(=O)=O)cc(N(=O)=O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP54","1-Methyl-2,4-Dinitrobenzene; 2,4-dinitrotoluol; 2,4-DNT; Dinitrotoluene, 2,4-; Dinitrotoluol; DNT.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"Nitro-aromatic",1]
["78-34-2","dioxathion;s,s'-1,4-dioxane-2,3-diyl o,o,o',o'-tetraethyl bis(phosphorodithioate);delnav;s,s'-1,4-dioxane-2,3-diyl o,o,o',o'-tetraethyl bis(dithiophosphate);a mixture consisting essentially of cis- and trans-s,s'-5,5'-p-dioxane-2,3-diyl bis(o,o-diethyl phosphorodithioate);78-34-2","C1(SP(=S)(OCC)OCC)C(SP(=S)(OCC)OCC)OCCO1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","N/A","YES","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP125","1,4-Dioxane-2,3-dithiol, S,S-diester with O,O-diethyl phosphorodithioate; 1,4-dioxan-2,3-diyl O,O,O',O'-tetraethyl di(phosphoromithioate); Ruphos; S,S'-1,4-dioxane-2,3-diyl O,O,O',O'-tetraethyl phosph|||orodithioate; 1,4-Dioxane-2,3-diyl O,O,O',O'-tetraet","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"No alert found",0,"No alert found",0,"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["57-14-7","1,1-dimethylhydrazine;n,n-dimethyl-hydrazine;dimazine;dimethyl hydrazine;n,n-dimethylhydrazine;hydrazine, 1,1-dimethyl-;57-14-7","CN(C)N","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","Asymmetric dimethylhydrazine; dimazine; Dimethylhydrazine; Dimethylhydrazine, 1,1-; Dimethyl hydrazine (asymetrical); N,N-dimethylhydrazine; UDMH; uns-dimethylhydrazine; unsym-dimethylhydrazine; unsym|||etrical dimethyl hydrazine; Unsymmetrical dimethylhy","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Nucleophilic addition|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization >> Hydrazine Derivatives|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Hydrazine Derivatives",1,"No alert found",0,"Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Hydrazine",1,"H-acceptor-path3-H-acceptor|Hydrazine",1]
["140-79-4","dinitrosopiperazine;n,n'-dinitrosopiperazine;1,4-dinitrosopiperazine;piperazine, 1,4-dinitroso-;140-79-4","C1CN(N=O)CCN1N=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","N,N'-Dinitrosopiperazine; Piperazine, 1,4-dinitroso-.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2",1,"Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"Alkyl and aryl N-nitroso groups",1,"Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor",1]
["106-89-8","epichlorohydrin;oxirane, 2-(chloromethyl)-;1-chloro-2,3-epoxypropane;(chloromethyl)oxirane;epichlorhydrin;(chloromethyl) oxirane;oxirane, (chloromethyl)-;propane, 1-chloro-2,3-epoxy-;2-(chloromethyl)oxirane;1chloro2,3epoxypropane (epichlorohydrin);106-89-8","C1(CCl)CO1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","1,2-epoxy-3-chloropropane; 1-chloro-2,3-epoxypropane; 2,3-epoxypropyl chloride; 2-(Chloromethyl)oxirane; 3-Chloro-1,2-epoxypropane; 3-Chloro-1,2-propylene oxide; 3-Chloropropene-1,2-oxide; 3-Chloropro|||pylene Oxide; 3-Chloropropyl epoxide; alpha-epichlor","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides",1,"Aliphatic halogens (Genotox)|Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Aliphatic halogens|Epoxides and aziridines",1,"Aliphatic halogen|Epoxides and aziridines",1]
["828-00-2","dimethoxane;1,3-dioxan-4-ol, 2,6-dimethyl-, 4-acetate;dimethoxane, commercial grade;2,6-dimethyl-1,3-dioxan-4-ol acetate;dimethoxane commercial grade;2,6-dimethyl-1,3-dioxan-4-yl acetate;1,3-dioxan-4-ol, 2,6-dimethyl-, acetate;m-dioxan-4-ol, 2,6-dimethyl-, acetate;2,6dimethyl1,3dioxan4yl acetate (dimethoxane);2,6-dimethyl-1,3-dioxan-4-ol, acetate;dimethoxane (bioban-dxn);6-acetoxy-2,4-dimethyl-1,3-dioxane;acetic acid, ester with 2,6-dimethyl-m-dioxan-4-ol;828-00-2","C(C)(=O)OC1CC(C)OC(C)O1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP354","2,6-Dimethyl-1,3-dioxan-4-ol acetate; 2,6-Dimethyl-m-dioxan-4-ol acetate; 2,6-Dimethyl-m-dioxan-4-yl acetate; 6-Acetoxy-2,4-dimethyl-1,3-dioxane; 6-Acetoxy-2,4-dimethyl-m-dioxane; acetic acid 2,6-dime|||thyl-m-dioxan-4-yl ester; acetic acid, ester with 2,","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Specific Acetate Esters|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Specific Acetate Esters|SN2|SN2 >> Acylating agents|SN2 >> Acylating agents >> Specific Acetate Esters|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Specific Acetate Esters",1,"No alert found",0,"No alert found",0,"Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Specific Acetate Esters|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Specific Acetate Esters|SN2|SN2 >> Acylating agents|SN2 >> Acylating agents >> Specific Acetate Esters|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Specific Acetate Esters",1,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["60-51-5","phosphorodithioic acid, o,o-dimethyl s-[2-(methylamino)-2-oxoethyl] ester;dimethoate;o,o-dimethyl-s-(n-methylcarbamoylmethyl) phosphorodithioate;phosphorodithioic acid, o,o-dimethyl s-[2-methylamino)-2-oxoethyl]ester;phosphorodithioic acid, o,o-dimethyl ester, s-ester with 2-mercapto-n-methylacetamide;phosphorodithioic acid, o,o-dimethyl s-(2-(methylamino)-2-oxoethyl) ester;phosphorodithioic acid, o,o-dimethyl s-(methylcarbamoylmethyl) ester;o,o-dimethyl s-[2-(methylamino)-2-oxoethyl] phosphorodithioate;dimethoate ( replicate study i);dimethoate (replicate study ii);dimethoate (cygon 267 formulation);o,o-dimethyl s-[2-(methylamino)-2-oxoethyl] dithiophosphate;60-51-5","C(=O)(CSP(=S)(OC)OC)NC","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP4","O,O-Dimethyl methylcarbamoylmethyl phosphorodithioate; O,O-dimethyl S-(2-(methylamino)-2-oxoethyl) phosphorodithioate; O,O-dimethyl S-methylcarbamoylmethyl phosphorodithioate; O,O-Dimethyl S-(N-Methyl|||carbamoylmethyl) Phosphorodithioate; American Cyanam","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"No alert found",0,"No alert found",0,"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["91-93-0","3,3'-dimethoxybenzidine-4,4'-diisocyanate;3,3'-dimethoxy-4,4'-biphenylene diisocyanate;dimethoxybenzidine-4,4'-diisocyanate, 3,3'-;4,4'-diisocyanato-3,3'-dimethoxybiphenyl;1,1'-biphenyl, 4,4'-diisocyanato-3,3'-dimethoxy- (9ci)","c1(-c2cc(OC)c(N=C=O)cc2)cc(OC)c(N=C=O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP128","3,3'-Bianisole-4,4'-Isocyanicacid Ester - Carc.; 3,3'-Dimethoxybiphenyl-4,4'-diisocyanate; 4,4'-diisocyanato-3,3'-dimethoxy-1,1'-biphenyl; dianisidine diisocyanate; isocyanic acid, 3,3'-dimethoxy-4,4'|||-biphenylene ester.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"No alert found",0,"Acylation|Acylation >> Isocyanates and Isothiocyanates|Acylation >> Isocyanates and Isothiocyanates >> Isocyanates",1,"Isocyanate and isothiocyanate groups (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Isocyanate and isothiocyanate groups|Primary aromatic amine,hydroxyl amine and its derived esters",1,"H-acceptor-path3-H-acceptor|Isocyanate and isothiocyanate groups|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["101-90-6","diglycidyl resorcinol ether;diglycidyl resorcinol ether, technical grade;oxirane, 2,2'- 1,3-phenylenebis(oxymethylene) bi;diglycidyl resorcinol ether (dgre);oxirane, 2,2'- 1,3-phenylenebis(oxymethylene) bis-;benzene, m-bis(2,3-epoxypropoxy)-;oxirane, 2,2'-Õ1,3-phenylenebis(oxymethylene)åbis-\"\"\";m-bis(2,3-epoxypropoxy)benzene;oxirane, 2,2’-[1,3-phenylenebis(oxymethylene)]bis-;oxirane, 2,2'-[1,3-phenylenebis(oxymethylene)]bis-;2,2'-[1,3-phenylenebis(oxymethylene)]dioxirane;resorcinoldiglycidylether;oxirane, 2,2'-Х1,3-phenylenebis(oxymethylene)еbis-;diglycidyl resorcinol ether (technical grade);1,3-bis(2,3-epoxypropoxy)benzene;oxirane, 2,2'-Х1,3-phenylenebis(oxymethylene)еbis-\";oxirane, 2,2'-(1,3-phenylenebis(oxymethylene))bis-;101-90-6","c1(OCC2CO2)cc(OCC2CO2)ccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP257","1,3-Bis(2,3-epoxypropoxy)benzene; 1,3-diglycidyloxybenzene; 2,2'-[1,3-phenylenebis(oxymethylene)]bisoxirane; m-bis(2,3-epoxypropoxy)benzene; meta-bis(glycidyloxy)benzene; araldite ere 1359; diglycidyl||| ether of resorcinol; diglycidylresorcinol; DGRE; er","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides",1,"Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Epoxides and aziridines",1,"1,3-dialkoxy-benzene|Epoxides and aziridines|H-acceptor-path3-H-acceptor",1]
["868-85-9","dimethyl hydrogen phosphite;phosphonic acid, dimethyl ester;dimethyl phosphite;dimethyl hydrogen phosphate;dimethyl phosphonate;868-85-9","COP(=O)OC","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP287","Dimethyl Phosphite; dimethyl phosphonate; DMHP.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"No alert found",0,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid|H-acceptor-path3-H-acceptor",1]
["57-97-6","7,12-dimethylbenz[a]anthracene;7,12-dimethylbenz(a)anthracene;7,12-dimethyl-1,2-benz(a)anthracene;7,12-dime-benz(a)anthracene;9,10-dimethyl-1,2-benzanthracene;7,12-dimethyl benzanthracene;benz[a]anthracene, 7,12-dimethyl-;dimethylbenz[a]anthracene (dmba);7,12-dimethyltetraphene;7,12-dimethylbenz[alpha]anthracene;benz(a)anthracene, 7,12-dimethyl-;57-97-6","c12c(c3c(C)c4c(c(C)c3cc1)cccc4)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","TOXNET","1,4-dimethyl-2,3-benzophenanthrene; 7,12-dimethylbenzanthracene; 7,12-dmba; 9,10-Dimethyl-1,2-benzanthracene; 9,10-dimethyl-benzanthracene; DMBA.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition|SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1",1,"Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1]
["79-44-7","dimethylcarbamoyl chloride;dimethylcarbamyl chloride;carbamic chloride, dimethyl-;carbamoyl chloride, dimethyl-;dimethylcarbamic chloride;dimethylcarbamoylchloride;79-44-7","C(=O)(Cl)N(C)C","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","(dimethylamino)carbonyl chloride; Dimethylcarbamic Acid Chloride; Dimethylcarbamic Chloride; Dimethyl carbamyl chloride; chloroformic acid dimethylamide; DMCC; N,N-Dimethylcarbamoyl chloride; N,N-Dime|||thylcarbamyl Chloride; TL 389.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"No alert found",0,"Acylation|Acylation >> Direct Addition of an Acyl Halide|Acylation >> Direct Addition of an Acyl Halide >> Alkyl carbamyl halides|SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"Acyl halides (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Acyl halides",1,"Acyl halides|H-acceptor-path3-H-acceptor",1]
["106-88-7","1,2-epoxybutane;oxirane, 2-ethyl-;1,2-butyleneoxide;1,2-butylene oxide;2-ethyl-oxirane;oxirane, ethyl-;epoxybutane;butane, 1,2-epoxy-;2-ethyloxirane;1,2epoxybutane;106-88-7","C1(CC)CO1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP329","1,2-Butylene Oxide; 2-Ethyloxirane; Epoxybutane, 1,2-; ethyloxirane.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides",1,"Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Epoxides and aziridines",1,"Epoxides and aziridines",1]
["3570-75-0","nifurthiazole;formic acid 2-[4-(5-nitro-2-furyl)-2-thiazolyl]hydrazide;n'-[4-(5-nitrofuran-2-yl)-1,3-thiazol-2-yl]formic hydrazide;hydrazinecarboxaldehyde, 2-(4-(5-nitro-2-furanyl)-2-thiazolyl)-","C1(C2=CC=C(N(=O)=O)O2)=CSC(NNC=O)=N1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","2-(2-Formylhydrazino)-4-(5-nitro-2-furyl)thiazole; FNT; Formic acid 2-[4-(5-nitro-2-furyl)-2-thiazolyl]hydrazide; Formylhydrazino-4-(5-nitro-2-furyl)thiazole.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Unsaturated heterocyclic nitro",1,"Hydrazine (Genotox)|Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Hydrazine|Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Hydrazine|Nitro-aromatic",1]
["556-52-5","glycidol;2-oxiranemethanol;oxiranemethanol;2,3-epoxypropan-1-ol;1-propanol, 2,3-epoxy-;oxiran-2-ylmethanol;2,3epoxypropan1ol(glycidol)","C1(CO)CO1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP374","1,2-Epoxy-3-Hydroxy Propane; 2,3-Epoxy-1-propanol; 2,3-epoxypropanol; 2-hydroxymethyloxirane; 3-hydroxy-1,2-epoxypropane; 3-Hydroxypropylene oxide; allyl alcohol oxide; epihydrin alcohol; epoxypropyl |||alcohol; glycide; glycidyl alcohol; Oxiranemethanol;","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides",1,"Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Epoxides and aziridines",1,"Epoxides and aziridines|H-acceptor-path3-H-acceptor",1]
["2757-90-6","agaritine;beta-n-[gamma-l(+)-glutamyl]-4-hydroxymethylphenylhydrazine;2-amino-5-{2-[4-(hydroxymethyl)phenyl]hydrazino}-5-oxopentanoic acid;l-glutamic acid, 5-(2-(4-(hydroxymethyl)phenyl)hydrazide) (9ci)","C(=O)(O)C(N)CCC(=O)NNc1ccc(CO)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","N/A","YES","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","Agaritine; 2-[4-(hydroxymethyl)phenyl]-L-glutamohydrazide.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"No alert found",0,"No alert found",0,"Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Hydrazine",1,"H-acceptor-path3-H-acceptor|Hydrazine",1]
["67730-10-3","2-aminodipyrido[1,2-a:3',2'-d]imidazole;glu-p-2;2-aminodipyrido(1,2-a:3',2'-d)imidazole;glu-p-2\"\"\";imidazo[1,2-a:5,4-b']dipyridin-2-amine","c12c(ccc(N)n1)N=C1C=CC=CN21","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","Dipyrido[1,2-a:3',2'-d]imidazol-2-amine; Glu-P-2.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Imidazole, benzimidazole (Nongenotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"No alert found",0,"Heterocyclic Polycyclic Aromatic Hydrocarbons|Primary aromatic amine,hydroxyl amine and its derived esters",1,"H-acceptor-path3-H-acceptor|Heterocyclic Polycyclic Aromatic Hydrocarbons|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["72-56-0","p,p'-ethyl-ddd;1,1-dichloro-2,2-bis(ethylphenyl)ethane;di(p-ethylphenyl)dichloroethane;1,1-dichloro-2,2-bis(4-ethylphenyl)ethane;1,1'-(2,2-dichloroethane-1,1-diyl)bis(4-ethylbenzene);benzene, 1,1'-(2,2-dichloroethylidene)bis[4-ethyl-;1,1-bis(ethylphenyl)-2,2-dichloroethane;benzene, 1,1'-(2,2-dichloroethylidene)bis(4-ethyl-;72-56-0","c1(C(c2ccc(CC)cc2)C(Cl)Cl)ccc(CC)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP156","1,1'-(2,2-dichloroethylidene)bis(4-ethylbenzene); 1,1-bis(p-ethylphenyl)-2,2-dichloroethane; 1,1-dichloro-2,2-bis(p-ethylphenyl)ethane; 2,2-bis(p-ethylphenyl)-1,1-dichloroethane; 2,2-dichloro-1,1-bis(|||p-ethylphenyl)ethane; 2,2-dichloro-bis(p-ethylphenyl","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes",1,"Acylation|Acylation >> P450 Mediated Activation to Acyl Halides|Acylation >> P450 Mediated Activation to Acyl Halides >> 1,1-Dihaloalkanes|Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes",1,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes",1,"Aliphatic halogens",1,"Aliphatic halogen",1]
["63885-23-4","n-ethyl-n'-nitro-n-nitrosoguanidine;1-ethyl-3-nitro-1-nitrosoguanidine;n'-ethyl-n-nitro-n-nitrosoguanidine","C(=N)(N(CC)N=O)NN(=O)=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","-","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2",1,"Aliphatic N-nitro group (Genotox)|Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"Aliphatic N-nitro group|Alkyl and aryl N-nitroso groups",1,"Aliphatic N-nitro group|Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor",1]
["75-21-8","ethylene oxide;oxirane;ethyleneoxy;ethyleneoxide;75-21-8","C1CO1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP326 & CPDB","1,2-epoxyethane; Alpha,beta-oxidoethane; amprolene; anprolene; anproline; Dihydrooxirene; dimethylene oxide; E.O.; Epoxyethane; Ethene oxide; Ethox; ETO; fema no. 2433; merpol; oxacyclopropane; Oxane;||| oxidoethane; oxirane; oxyfume; oxyfume 12; Qazi-ket","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides",1,"Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Epoxides and aziridines",1,"Epoxides and aziridines",1]
["151-56-4","ethyleneimine;aziridine;ethylenimine;151-56-4","C1CN1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","Azirane; Aziridine; Dimethyleneimine; Ethylenimine; ethylimine.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Aziridines",1,"Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Epoxides and aziridines",1,"Epoxides and aziridines",1]
["102-50-1","m-cresidine;meta-cresidine;benzenamine, 4-methoxy-2-methyl-;4-methoxy-o-toluidine;p-anisidine, 2-methyl-;4-methoxy-2-methylaniline","c1(N)c(C)cc(OC)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP105","2-amino-5-methoxytoluene; 2-methyl-p-anisidine; 4-methoxy-2-methylaniline.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"Primary aromatic amine, hydroxyl amine and its derived esters",1]
["91-64-5","2h-1-benzopyran-2-one;coumarin;coumarin\"\"\";2h-chromen-2-one;courmarin;coumaric acid;benzo-alpha-pyrone;coumarin\";2<i>h</i>-1-benzopyran-2-one","c12c(C=CC(=O)O1)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP422","1,2-Benzopyrone; o-coumaric acid lactone; 2H-1-Benzopyran-2-one; 2H-benzopyran-2-one; o-hydroxycinnamic acid delta-lactone; o-hydroxycinnamic acid lactone; o-hydroxycinnamic lactone; 2-oxo-1,2-benzopy||an; 2-oxo-2H-1-benzopyran; Benzo-2-pyrone; benzo-alph","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Generation of reactive oxygen species|Radical >> Generation of reactive oxygen species >> Coumarins|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Coumarins",1,"SN2|SN2 >> P450 Mediated Epoxidation|SN2 >> P450 Mediated Epoxidation >> Coumarins",1,"Coumarins and Furocoumarins (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Generation of reactive oxygen species|Radical >> Generation of reactive oxygen species >> Coumarins|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Coumarins",1,"Coumarins and Furocoumarins",1,"Coumarins and Furocoumarins|H-acceptor-path3-H-acceptor",1]
["120-71-8","benzenamine, 2-methoxy-5-methyl-;1-amino-2-methoxy-5-methyl-benzene;p-cresidine;2-methoxy-5-methylbenzenamine;para-cresidine;6-methoxy-m-toluidine;o-anisidine, 5-methyl-;2-methoxy-5-methylaniline;6methoxymtoluidine;(pcresidine);120-71-8","c1(OC)c(N)cc(C)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP142","1-amino-2-methoxy-5-methylbenzene; 2-amino-4-methylanisole; 2-amino-p-cresol methyl ether; 2-methoxy-5-methylaniline; 3-amino-4-methoxytoluene; m-amino-p-cresol, methyl ether; para-CRESIDINE (2-METHOX|||Y-5-METHYLANILINE); 4-methyl-2-aminoanisole; 5-Methy","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["50-18-0","cyclophosphamide;2h-1,3,2-oxazaphosphorin-2-amine, n,n-bis(2-chloroethyl)tetrahydro-, 2-oxide;n,n-bis(2-chloroethyl)-1,3,2-oxazaphosphinan-2-amine 2-oxide;cyclophosphamide(inn)anditssalts;n,n-bis(2-chloroethyl)tetrahydro-2h-1,3,2-oxazaphosphorin-2-amine 2-oxide;2h-1,3,2-oxazaphosphorin-2-amine, n,n-bis(2-chloroethyl)tetrahydro-, 2-oxide (9ci)","C1CCNP(=O)(N(CCCl)CCCl)O1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","1-(bis(2-chloroethyl)amino)-1-oxo-2-aza-5-oxaphosphoridine; 2-(di(2-chloroethyl)amino)-1-oxa-3-aza-2-phosphacyclohexane 2-oxide; Enduxan; Genoxal; Mitoxan; N-bis(beta-Chloroethyl)-N'O,trimethylenephos|||phoric acid ester diamide; Neosar; N,N-Bis(2-chloroe","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Nitrogen Mustards|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> Mustards",1,"S or N mustard (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"S or N mustard",1,"H-acceptor-path3-H-acceptor|S or N mustard",1]
["2303-16-4","diallate;di-allate;s-[(2z)-2,3-dichloroprop-2-en-1-yl] diisopropylcarbamothioate;carbamothioic acid, bis(1-methylethyl)-, s-(2,3-dichloro-2-propenyl) ester;bis(1-methethyl)-carbamothioic acid, s-(2,3-dichloro-2-propenyl)ester","C(Cl)(=CCl)CSC(=O)N(C(C)C)C(C)C","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","N/A","YES","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","2,3-Dichloro-2-propene-1-thiol, diisopropylcarbamate; 2,3-Dichloro-2-Propene-1-Thiol, S-2,3-Diisopropyl carbamate; 2,3-Dichloroallyl Diisopropylthiocarbamate; 2,3-Dichloroallyl N,N-diisopropylthiolcar||amate; 2,3-DCDT; Avadex; Carbamothioic Acid, Bis-(1-M","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"No alert found",0,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"Alkyl carbamate and thiocarbamate (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Alkyl carbamate and thiocarbamate",1,"Alkyl carbamate and thiocarbamate|H-acceptor-path3-H-acceptor",1]
["75-00-3","chloroethane;ethyl chloride;ethane, chloro-","C(C)Cl","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP346","Aethylis; aethylis chloridum; anodynon; chelen; chlorene; chlorethyl; chloridum; chloryl; chloryl anesthetic; cloretilo; dublofix; ether chloratus; ether hydrochloric; ether muriatic; ETHYL HLORIDE (C|||HLOROETHANE; Ethyl Chloride; hydrochloric ether; kel","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Monohaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Monohaloalkanes|SN2 >> Ring opening SN2 reaction|SN2 >> Ring opening SN2 reaction >> Monohaloalkanes",1,"SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides",1,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Monohaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Monohaloalkanes|SN2 >> Ring opening SN2 reaction|SN2 >> Ring opening SN2 reaction >> Monohaloalkanes",1,"Aliphatic halogens",1,"Aliphatic halogen",1]
["75-45-6","chlorodifluoromethane;chloro(difluoro)methane;methane, chlorodifluoro-","C(F)(F)Cl","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","Algeon 22; Difluorochloromethane; Fluorocarbon 22; Freon R-22; Halocarbon 22; HCFC-22; Isotron 22; Monochlorodifluoromethane; Refrigerant R22.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"No alert found",0,"No alert found",0,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aliphatic halogens",1,"Aliphatic halogen",1]
["107-20-0","chloroacetaldehyde;acetaldehyde, chloro-;107-20-0","C(=O)CCl","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","2-chloro-1-ethanal; 2-Chloroethanal; alpha-chloroacetaldehyde; Monochloroacetaldehyde.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups",1,"Schiff base formers|Schiff base formers >> Direct Acting Schiff Base Formers|Schiff base formers >> Direct Acting Schiff Base Formers >> Mono aldehydes",1,"Aliphatic halogens (Genotox)|Simple aldehyde (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups",1,"Aliphatic halogens|Simple aldehyde",1,"Aliphatic halogen|Simple aldehyde",1]
["117-10-2","danthron;chrysazin;9,10-anthracenedione, 1,8-dihydroxy-;anthraquinone, 1,8-dihydroxy-\"\"\";dantron;anthraquinone, 1,8-dihydroxy-;1,8-dihydroxyanthracene-9,10-dione;1,8-dihydroxy-9,10-anthracenedione;1,8-dihydroxy-9,10-anthraquinone;1,8-dihydroxyanthraquinone","c12C(=O)c3c(C(=O)c1c(O)ccc2)c(O)ccc3","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","1,8-dihydroxy-9,10-anthracenedione; 1,8-dihydroxy-9,10-anthraquinone; Modane; zwitsalax; 1,8-Dihydroxyanthraquinone; 1,8-dioxyanthraquinone; Altan; antrapurol; dianthon; diaquone; dihydroxyanthraquino|||ne; dioxyanthrachinonum; danivac; danthro-lax; Danth","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones",1,"No alert found",0,"Quinones (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones",1,"Quinones",1,"H-acceptor-path3-H-acceptor|Quinones",1]
["76-06-2","chloropicrin;methane, trichloronitro-;trichloronitromethane;trichloro(nitro)methane;trichloronitromethane (chloropicrine);chlorpicrin;76-06-2","C(Cl)(Cl)(Cl)N(=O)=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP65","Aquinite; Chlor-O-Pic; Chloropicrin, absorbed; Dojyopicrin; Dolochlor; G 25; Larvacide; larvacide 100; microlysin; Nimax; Nitrochloroform; Nitrotrichloromethane; Pic-Chlor; Pic-Clor; Picfume; picride;||| Profume A; S 1; Timberfume; trichloronitromethane;","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups",1,"No alert found",0,"No alert found",0,"Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups",1,"No alert found",0,"No alert found",0]
["590-21-6","1-chloropropene;1-propene, 1-chloro-;1-chloro-1-propene;1-chloroprop-1-ene","C(Cl)=CC","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","1-chloro-1-propene; 1-Chloro-1-propene, cis + trans; 1-Chloropropylene.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"No alert found",0,"No alert found",0,"Monohaloalkene (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Monohaloalkene",1,"Monohaloalkene",1]
["538-41-0","4-4'-diaminoazobenzene;4,4'-diaminoazobenzene;benzenamine, 4,4'-azobis-;4,4'-azodianiline;4,4'-diazene-1,2-diyldianiline;aniline, 4,4'-azodi-;4,4'-(e)-diazene-1,2-diyldianiline;benzenamine, 4,4'-(1,2-diazenediyl)bis-","c1(N)ccc(N=Nc2ccc(N)cc2)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","N/A","YES","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","4,4[-Azodianiline; 4,4'-Azodianiline; DAAB.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic azo|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Aromatic diazo (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Aromatic diazo|Primary aromatic amine,hydroxyl amine and its derived esters",1,"Aromatic diazo|H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["107-06-2","1,2-dichloroethane;dichloroethane, 1,2-;ethylene dichloride;ethane, 1,2-dichloro-;1,2-dichloro-ethane;dichloroethanes (ethylenechlorides) e.g.1,2dichloroethane;107-06-2","C(Cl)CCl","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP55","1,2-DCE; 1,2-Ethylene dichloride; 1,2-Ethylidene dichloride; 2-Dichloroethane; alpha, beta-dichloroethane; dichloremulsion; Dichloroethane, 1,2-; di-chlor-mulsion; borer sol; Brocide; destruxol borer-|||sol; Dutch liquid; Dutch oil; EDC; Ethane dichloride","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"SN2|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation >> Vicinal Dihaloalkanes",1,"SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> 1,2-Dihaloalkanes",1,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aliphatic halogens",1,"Aliphatic halogen",1]
["13366-73-9","photodieldrin;dieldrin, photo-;2a,3,3,4,5,5a-hexachlorodecahydro-1ah-2,4,6-(methanetriyl)cyclopenta[4,5]pentaleno[1,2-b]oxirene","C12(Cl)C3(Cl)C(Cl)(Cl)C(Cl)(C4C5C6C(C(C34)C15)O6)C2Cl","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","N/A","YES","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP17","1,1,2,3,3a,7a-hexachloro-5,6-epoxydecahydro-2,4,7-metheno-1H-cyclopenta(a)pentalene, stereoisomer; 2,4,6-metheno-2H-cyclopenta(4,5)pentaleno(1,2-b)oxirene, 2a,3,3,4,5,5a-hexachlorodecahydro-; 2a,3,3,4|||,5,5a-hexachlorodecahydro-2,4,6-metheno-2H-cyclopent","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation >> Vicinal Dihaloalkanes",1,"SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides",1,"(Poly) Halogenated Cycloalkanes (Nongenotox)|Epoxides and aziridines (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Epoxides and aziridines",1,"Epoxides and aziridines",1]
["62-73-7","dichlorvos;phosphoric acid, 2,2-dichloroethenyl dimethyl ester;phosphoric acid, 2,2-dichlorovinyl dimethyl ester;2,2-dichlorovinyl dimethyl phosphate;phosphoric acid 2,2-dichloroethenyl dimethyl ester;2,2-dichloroethenyl dimethyl phosphate;62-73-7","C(Cl)(Cl)=COP(=O)(OC)OC","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP342","2,2-dichloroethenol dimethyl phosphate; 2,2-dichloroethenyl dimethyl phosphate; 2,2-dichloroethenyl phosphoric acid dimethyl ester; 2,2-dichlorovinyl alcohol dimethyl phosphate; 2,2-Dichlorovinyl-O,O-|||dimethyl phosphate; 2,2-Dichlorovinyl dimethyl phosp","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"No alert found",0,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid|H-acceptor-path3-H-acceptor",1]
["96-12-8","propane, 1,2-dibromo-3-chloro-;dibromochloropropane;1,2-dibromo-3-chloropropane;1,2dibromo3chloropropane;96-12-8","C(Br)(CCl)CBr","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP206","1,3-Dibromo-3-chloropropane; os 1897; oxy dbcp; sd 1897; 1-chloro-2,3-dibromopropane; 3-chloro-1,2-dibromopropane; BBC 12; Dibromo-3-chloropropane, 1,2- (DBCP); dibromochloropropane; CBCP; DBCP; fumag|||on; Fumazone; fumazone 86; nemabrom; Nemafume; Nemag","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"SN2|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation >> Vicinal Dihaloalkanes",1,"SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> 1,2-Dihaloalkanes",1,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aliphatic halogens",1,"Aliphatic halogen",1]
["106-93-4","ethane, 1,2-dibromo-;1,2-dibromoethane;dibromoethane, 1,2-;ethylene dibromide;1,2,dibromoethane;1,2dibromoethane;106-93-4","C(Br)CBr","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP210","Kopfume; Nephis; pestmaster; pestmaster edb-85; soilbrom-100; soilbrom-40; soilbrom-85; soilbrom-90; Soilbrom 90EC; soilfume; sym-dibromoethane; unifume; Aadibroom; alpha,beta-dibromoethane; dibromoet|||hane; Dibromoethane, 1,2-; Dibromoethylene; Bromofum","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"SN2|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation >> Vicinal Dihaloalkanes",1,"SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> 1,2-Dihaloalkanes",1,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aliphatic halogens",1,"Aliphatic halogen",1]
["10318-26-0","dibromodulcitol;mitolactol;1,6-dibromo-1,6-dideoxy-d-galactitol","C(O)(C(O)C(O)C(O)CBr)CBr","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","1,6-dibromo-1,6-dideoxydulcitol; 1,6-dibromo-1,6-dideoxy-galactitol; 1,6-dibromo-1,6-dodeoxygalactitol; 1,6-dibromodulcitol; Mitolactol.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Elimination (E2)|Elimination (E2) >> E2 elimination reaction with epoxide formation|Elimination (E2) >> E2 elimination reaction with epoxide formation >> Haloalcohols|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Haloalcohols",1,"SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides",1,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Elimination (E2)|Elimination (E2) >> E2 elimination reaction with epoxide formation|Elimination (E2) >> E2 elimination reaction with epoxide formation >> Haloalcohols|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Haloalcohols",1,"Aliphatic halogens",1,"Aliphatic halogen|H-acceptor-path3-H-acceptor",1]
["785-30-8","4,4'-diaminobenzanilide;benzamide, 4-amino-n-(4-aminophenyl)-;benzanilide, 4,4'-diamino-;4-amino-n-(4-aminophenyl)benzamide","C(=O)(c1ccc(N)cc1)Nc1ccc(N)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","4-amino-N-(4-aminophenyl)-benzamide; DABA.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",{"$f":"IF(X194=\"No alert found\",0,1)","v":1},"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",{"$f":"IF(Z194=\"No alert found\",0,1)","v":1},"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",{"$f":"IF(AB194=\"No alert found\",0,1)","v":1},"No alert found",{"$f":"IF(AD194=\"No alert found\",0,1)","v":0},"Primary aromatic amine,hydroxyl amine and its derived esters",{"$f":"IF(AF194=\"No alert found\",0,1)","v":1},"H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters",{"$f":"IF(AH194=\"No alert found\",0,1)","v":1}]
["53-70-3","dibenz[a,h]anthracene;dibenzo(a,h)anthracene;dibenz(a,h)anthracene;dibenzo[a,h]anthracene;1,2,5,6-dibenzanthracene;dibenzathracene;benzo[k]tetraphene","c12c(c3c(cc4c5c(ccc4c3)cccc5)cc1)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","1,2:5,6-benzanthracene; 1,2:5,6-dibenz[a]anthracene; 1,2,5,6-Dibenzanthracene; 1,2:5,6-dibenzoanthracene; 1,2,5,6-dba; Benz[a,h]anthracene; dibenzo[a,h]anthracene; DBA; DB(A,H)A.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1",1,"Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1]
["110-57-6","trans-1,4-dichloro-2-butene;trans-1,4-dichlorobutene-2;(e)-1,4-dichloro-2-butene;1,4-dichloro-2-butene(trans);1,4-dichloro-2-butene;2-butene, 1,4-dichloro-, (e)-;\"\"1,4-dichloro-2-butene;2-butene, 1,4-dichloro-, (e)-\"\"\";trans-2,3-dichlorobut-2-ene;2-butene, 1,4-dichloro-, (2e)-;1,4-dichloro-trans-2-butene;(2e)-1,4-dichlorobut-2-ene","C(=CCCl)CCl","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","N/A","YES","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","trans-1,4-Dichloro-2-butene; trans-1,4-Dichlorobutene; trans-1,4-Dichlorobutene-2.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups",1,"SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides",1,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups",1,"Aliphatic halogens",1,"Aliphatic halogen",1]
["99-30-9","2,6-dichloro-4-nitroaniline;dicloran;dichloran;2,6-dichloro-4-nitro-aniline;benzenamine, 2,6-dichloro-4-nitro-;2,6-dichloro-4-nitrobenzenamine;aniline, 2,6-dichloro-4-nitro-;dicloran (dcna);99-30-9","c1(Cl)c(N)c(Cl)cc(N(=O)=O)c1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","Allisan; Dichloran; dicloran; Dicloron; ditranil; bortran; Botran; DCNA; Kiwi Lustr 277; Resisan.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"Nitro-aromatic",1]
["87-56-9","mucochloric acid;alpha,beta-dichloro-beta-formylacrylic acid;2-butenoic acid, 2,3-dichloro-4-oxo-, (2z)-;2-butenoic acid, 2,3-dichloro-4-oxo-, (z)-;malealdehydic acid, dichloro-;(2z)-2,3-dichloro-4-oxobut-2-enoic acid;2-butenoic acid, 2,3-dichloro-4-oxo-, (z)- (9ci)","C(=O)(O)C(Cl)=C(Cl)C=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","2,3-Dichloro-4-oxo-2-butenoic acid; 2-Butenoic acid, 2,3-dichloro-4-oxo-, (Z)-; Mucochloric Acid.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Acylation|Acylation >> Acyl transfer via nucleophilic addition reaction|Acylation >> Acyl transfer via nucleophilic addition reaction >> Haloalkenes with Electron-Withdrawing Groups|Michael addition|Michael addition >> alpha, beta-unsaturated carabonyl compounds|Michael addition >> alpha, beta-unsaturated carabonyl compounds >> Alpha, Beta-Unsaturated Aldehydes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Alpha, Beta-Unsaturated Aldehydes|SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Haloalkenes with Electron-Withdrawing Groups|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Haloalkenes with Electron-Withdrawing Groups|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives",1,"No alert found",0,"alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Acylation|Acylation >> Acyl transfer via nucleophilic addition reaction|Acylation >> Acyl transfer via nucleophilic addition reaction >> Haloalkenes with Electron-Withdrawing Groups|Michael addition|Michael addition >> alpha, beta-unsaturated carabonyl compounds|Michael addition >> alpha, beta-unsaturated carabonyl compounds >> Alpha, Beta-Unsaturated Aldehydes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Alpha, Beta-Unsaturated Aldehydes|SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Haloalkenes with Electron-Withdrawing Groups|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Haloalkenes with Electron-Withdrawing Groups|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives",1,"alpha,beta-unsaturated carbonyls",1,"alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor",1]
["79-43-6","dichloracetic acid;dichloro-acetic acid;acetic acid, 2,2-dichloro-;dichloroacetic acid;acetic acid, dichloro-\"\"\";dichloro acetic acid;acetic acid, dichloro-;acetic acid, dichloro-\";79-43-6","C(=O)(O)C(Cl)Cl","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","TOXNET","2,2-dichloroacetic acid; DCAA.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups",1,"No alert found",0,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups",1,"Aliphatic halogens",1,"Aliphatic halogen|H-acceptor-path3-H-acceptor",1]
["609-20-1","2,6-dichloro-p-phenylenediamine;2,6-dichloro-para-phenylenediamine;dichloro-p-phenylenediamine, 2,6-;2,6-dichloro-benzene-1,4-diamine;2,6-dichlorobenzene-1,4-diamine;1,4-benzenediamine, 2,6-dichloro-;p-phenylenediamine, 2,6-dichloro-;2,6-dichloro-1,4-benzenediamine","c1(Cl)c(N)c(Cl)cc(N)c1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP219","1,4-diamino-2,6-dichlorobenzene; 2,5-diamino-1,3-dichlorobenzene; 2,6-dichloro-1,4-benzenediamine; 2,6-dichloro-1,4-phenylenediamine; C.I. 37020; daito brown salt rr; fast brown rr salt.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0]
["4164-28-7","n-nitrodimethylamine;dimethylnitramine;methanamine, n-methyl-n-nitro-;dimethylnitramine\"\"\";n-methyl-n-nitromethanamine;dimethylnitramine\";methanamine, n-methyl-n-nitro- (9ci);4164-28-7","CN(C)N(=O)=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","Methanamine, N-methyl-N-nitro-; N-Nitrodimethylamine.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"No alert found",0,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Aliphatic N-Nitro",1,"Aliphatic N-nitro group (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aliphatic N-nitro group",1,"Aliphatic N-nitro group",1]
["2429-74-5","c.i. direct blue 15;2,7-naphthalenedisulfonic acid, 3,3'-[(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis(2,1-diazenediyl)]bis[5-amino-4-hydroxy-, sodium salt (1:4);tetrasodium 3,3'-[(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[5-amino-4-hydroxynaphthalene-2,7-disulphonate];2,7-naphthalenedisulfonic acid, 3,3'-[(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[5-amino-4-hydroxy-, tetrasodium salt;direct blue 15;tetrasodium 3,3'-[(3,3'-dimethoxybiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis(5-amino-4-hydroxynaphthalene-2,7-disulfonate)","c1(-c2cc(OC)c(N=Nc3c(O)c4c(N)cc(S(=O)(=O)O{-}.[Na]{+})cc4cc3S(=O)(=O)O{-}.[Na]{+})cc2)cc(OC)c(N=Nc2c(O)c3c(N)cc(S(=O)(=O)O{-}.[Na]{+})cc3cc2S(=O)(=O)O{-}.[Na]{+})cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","N/A","YES","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP397","3,3'-((3,3'-dimethoxy-4,4'-biphenylylene)bis(azo))bis(5-amino-4-hydroxy-2,7-naphthalenedisulfonic acid), tetrasodium salt; airedale blue d; aizen direct sky blue 5bh; amanil sky blue; atlantic sky blu|||e a; atul direct sky blue; azine sky blue 5b; belami","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["2602-46-2","c.i. direct blue 6;2,7-naphthalenedisulfonic acid, 3,3'-[[1,1'-biphenyl]-4,4'-diylbis(azo)]bis[5-amino-4-hydroxy-, tetrasodium salt","c1(-c2ccc(N=Nc3c(O)c4c(N)cc(S(=O)(=O)O{-}.[Na]{+})cc4cc3S(=O)(=O)O{-}.[Na]{+})cc2)ccc(N=Nc2c(O)c3c(N)cc(S(=O)(=O)O{-}.[Na]{+})cc3cc2S(=O)(=O)O{-}.[Na]{+})cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","N/A","YES","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP108","3,3'-((4,4'-biphenylylene)bis(azo))bis(5-amino-4-hydroxy)-2,7-naphthalene-disulfonic acid tetrasodium salt; C.I. 22610; sodium diphenyl-4,4'-bis-azo-2''-8''-amino-1''-naphthol-3'',6''-disulfonate; air|||edale blue 2bd; aizen direct blue 2bh; amanil blue 2","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["38514-71-5","anft;2-amino-4-(5-nitro-2-furyl)thiazole;4-(5-nitrofuran-2-yl)-1,3-thiazol-2-amine;2-thiazolamine, 4-(5-nitro-2-furanyl)-","C1(C2=CC=C(N(=O)=O)O2)=CSC(N)=N1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","-","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary (unsaturated) heterocyclic amine|SN1 >> Nitrenium Ion formation >> Unsaturated heterocyclic nitro",1,"Nitro-aromatic (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic|Primary aromatic amine,hydroxyl amine and its derived esters",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["65176-75-2","5,6-dimethoxysterigmatocystin;8-hydroxy-6,10,11-tris(methyloxy)-3a,12c-dihydro-7h-furo[3',2':4,5]furo[2,3-c]xanthen-7-one","c12C(=O)c3c(c4c(cc3OC)OC3C4C=CO3)Oc1c(OC)c(OC)cc2O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB",null,"Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones",1,"No alert found",0,"No alert found",0,"No alert found",0,"1-phenoxy-benzene|H-acceptor-path3-H-acceptor",1]
["28322-02-3","4-acetylaminofluorene;n-9h-fluoren-4-ylacetamide;4-acetylaminofluorene (4-aaf);n-(9h-fluoren-4-yl)acetamide;acetamide, n-9h-fluoren-4-yl- (9ci)","c12-c3c(NC(C)=O)cccc3Cc1cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","4-AAF; 4-acetamidofluorene; N-4-fluorenylacetamide; N-9H-fluoren-4-ylacetamide; N-fluoren-4-ylacetamide.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"No alert found",0,"No alert found",0,"Aromatic N-acyl amine (Genotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aromatic N-acyl amine|Polycyclic Aromatic Hydrocarbons",1,"Aromatic N-acyl amine|H-acceptor-path3-H-acceptor|Polycyclic Aromatic Hydrocarbons",1]
["26049-69-4","2-(2,2-dimethylhydrazino)-4-(5-nitro-2-furyl)thiazole;2-(2,2-dimethylhydrazino)-4-(5-nitrofuran-2-yl)-1,3-thiazole;thiazole, 2-(2,2-dimethylhydrazino)-4-(5-nitro-2-furyl)-","C1(C2=CC=C(N(=O)=O)O2)=CSC(NN(C)C)=N1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","-","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Unsaturated heterocyclic nitro",1,"Hydrazine (Genotox)|Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Hydrazine|Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Hydrazine|Nitro-aromatic",1]
["30516-87-1","azidothymidine;azt;zidovudine;thymidine, 3'-azido-3'-deoxy-;thymidine, 3 -azido-3 -deoxy-;thymidine, 3’-azido-3’-deoxy-;3'-azido-3'-deoxythymidine;30516-87-1","C1(=O)C(C)=CN(C2CC(N=N#N)C(CO)O2)C(=O)N1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP469","3-azido-3-deoxythymidine; 3'-Azido-3'-deoxythymidine; 3'-Azidothymidine; 3'-deoxy-3'-azidothymidine; azidodeoxythymidine; Azidothymidine; AZT; bw-a 509u; Retrovir; ZDV; ZVD.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"alpha,beta-unsaturated carbonyls (Genotox)|Azide and triazene groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"alpha,beta-unsaturated carbonyls|Azide and triazene groups",1,"alpha,beta-unsaturated carbonyls|Azide and triazene groups|H-acceptor-path3-H-acceptor|Oxolane",1]
["29611-03-8","aflatoxicol;[1s-(1±,6a?,9a?)]-2,3,6a,9a-tetrahydro-1-hydroxy-4-methoxycyclopenta[c]furo[3',2':4,5]furo[2,3-h][1]benzopyran-11(1h)-one;[1s-(1?,6a?,9a?)]-2,3,6a,9a-tetrahydro-1-hydroxy-4-methoxycyclopenta[c]furo[3',2':4,5]furo[2,3-h][1]benzopyran-11(1h)-one;(1r,6as,9as)-1-hydroxy-4-methoxy-2,3,6a,9a-tetrahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromen-11(1h)-one;2,3,6alpha,9alpha-tetrahydro-1-hydroxy-4-methoxy-cyclopenta[c]fyro[3',2':4,5]furo[2,3-h][1]benzopyran-11(1h)-one;(1<i>s</i>)-form","C12c3c(c4c(cc3OC)OC3C4C=CO3)OC(=O)C=1C(O)CC2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","N/A","YES","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","Aflatoxin R0.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Generation of reactive oxygen species|Radical >> Generation of reactive oxygen species >> Coumarins|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Coumarins",1,"No alert found",0,"Coumarins and Furocoumarins (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Coumarins and Furocoumarins",1,"1,3-dialkoxy-benzene|Coumarins and Furocoumarins|H-acceptor-path3-H-acceptor",1]
["65734-38-5","n'-acetyl-4-(hydroxymethyl)phenylhydrazine;n'-acetyl-4-(hydroxymethyl) phenylhydrazine;n'-acetyl-n'-(4-hydroxymethyl)phenylhydrazine;n'-[4-(hydroxymethyl)phenyl]acetohydrazide;acetic acid, 2-(4-(hydroxymethyl)phenyl)hydrazide","c1(NNC(C)=O)ccc(CO)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","-","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"No alert found",0,"No alert found",0,"Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Hydrazine",1,"H-acceptor-path3-H-acceptor|Hydrazine",1]
["76014-81-8","4-(methylnitrosamino)-1-(3-pyridyl)-1-butanol;4-[methyl(nitroso)amino]-1-pyridin-3-ylbutan-1-ol;3-pyridinemethanol, alpha-(3-(methylnitrosoamino)propyl)-","c1(C(O)CCCN(C)N=O)cccnc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","Toxnet","alpha-(3-(Methylnitrosoamino)propyl)-3-pyridinemethanol","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2",1,"Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"Alkyl and aryl N-nitroso groups",1,"Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor",1]
["61702-44-1","2-chloro-p-phenylenediamine sulfate;2-chloro-1,4-benzenediamine sulfate (1:1);2-chloro p-phenylenediamine sulphate","c1(N)c(Cl)cc(N)cc1_O=S(=O)(O)O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP113","2-chloro-1,4-phenylenediamine sulfate; 2-Chloro-p-phenylenediamine sulfate; C.I. 76066; C.I. oxidation base 13a; fourrine 81; fourrine so; renal brown so; renal so.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"No alert found|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"No alert found|SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["3761-53-3","d & c red no. 5;d&c red no. 5;ponceau mx;disodium 1-(2,4-dimethylphenylazo)-2-hydroxynaphthalene-3,6-disulphonate;2,7-naphthalenedisulfonic acid, 4-[(2,4-dimethylphenyl)azo]-3-hydroxy-, disodium salt;disodium 4-[(2,4-dimethylphenyl)diazenyl]-3-hydroxynaphthalene-2,7-disulfonate;ponceau r","c1(S(=O)(=O)O{-}.[Na]{+})c(O)c(N=Nc2c(C)cc(C)cc2)c2c(cc(S(=O)(=O)O{-}.[Na]{+})cc2)c1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","N/A","YES","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","Ponceau G, R, 2R; C.I. Food Red 5; Ponceau MX; Ponceau 2R; Ponceau R; Xylidine ponceau 2R; C.I. 16150; C.I. acid red 26; 4-((2,4-dimethylphenyl)azo)-3-hydroxy-2,7-naphthalenedisulfonic acid, disodium |||salt; 3-hydroxy-4-(2,4-xylylazo)-2,7-naphthalenedisu","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"No alert found",0,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic azo",1,"Aromatic diazo (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aromatic diazo",1,"Aromatic diazo|H-acceptor-path3-H-acceptor",1]
["76180-96-6","2-amino-3-methyl-3h-imidazo[4,5-f]quinoline;iq;2-amino-3-methylimidazo[4,5-f]quinoline;amino-3-methylimidazo [4,5-f] 2­quinoline (iq);3-methyl-3h-imidazo[4,5-f]quinolin-2-amine;3h-imidazo(4,5-f)quinoline, 2-amino-3-methyl-","c12c(c3c(cc1)N(C)C(N)=N3)cccn2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","2-amino-3-methyl-3H-imidazo(4,5-f)quinoline; 3-methyl-3H-imidazo(4,5-f)quinolin-2-amine; IQ.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary (unsaturated) heterocyclic amine",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Imidazole, benzimidazole (Nongenotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons",1,"H-acceptor-path3-H-acceptor|Heterocyclic Polycyclic Aromatic Hydrocarbons",1]
["4342-03-4","dacarbazine;4-[(1e)-3,3-dimethyltriaz-1-en-1-yl]-1h-imidazole-5-carboxamide","C(N)(=O)C1=C(N=NN(C)C)N=CN1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","N/A","YES","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","1H-Imidazole-4-carboxamide, 5- (3,4-dimethyl-1-triazenyl)-; 4-(3,3-Dimethyltriazeno)imidazole-5-carboxamide; 4(5)-(3,3-Dimethyl-1-triazeno)imidazole-5(4)-carboxamide; 4-(Dimethyltriazeno)imidazole-5-c|||arboxamide; 4-(or 5)-(3,3-Dimethyl-1-triazeno)imidaz","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"SN2|SN2 >> Carbenium Ion Formation|SN2 >> Carbenium Ion Formation >> Acyclic Triazenes",1,"No alert found",0,"alpha,beta-unsaturated carbonyls (Genotox)|Azide and triazene groups (Genotox)|Imidazole, benzimidazole (Nongenotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"SN2|SN2 >> Carbenium Ion Formation|SN2 >> Carbenium Ion Formation >> Acyclic Triazenes",1,"alpha,beta-unsaturated carbonyls|Azide and triazene groups",1,"alpha,beta-unsaturated carbonyls|Azide and triazene groups|H-acceptor-path3-H-acceptor",1]
["5036-03-3","1-(2-hydroxyethyl)-3-[(5-nitrofurfurylidene)amino]-2-imidazolidinone;nifurdazil;1-(2-hydroxyethyl)-3-{[(e)-(5-nitrofuran-2-yl)methylidene]amino}imidazolidin-2-one","C1(C=NN2C(=O)N(CCO)CC2)=CC=C(N(=O)=O)O1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","N/A","YES","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","1-(2-Hydroxyethyl)-3-[(5-nitrofurfurylidene)amino]-2-imidazolidinone.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Unsaturated heterocyclic nitro",1,"Hydrazine (Genotox)|Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Hydrazine|Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Hydrazine|Nitro-aromatic",1]
["38777-13-8","nitroso-baygon;n-nitrosopropoxur;2-[(1-methylethyl)oxy]phenyl methyl(nitroso)carbamate;carbamic acid, methylnitroso-, 2-(1-methylethoxy)phenyl ester (9ci)","c1(OC(C)C)c(OC(=O)N(C)N=O)cccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","-","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2",1,"Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"Alkyl and aryl N-nitroso groups",1,"Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor",1]
["139-94-6","nithiazide;1-ethyl-3-(5-nitrothiazol-2-yl)urea;1-ethyl-3-(5-nitro-1,3-thiazol-2-yl)urea;n-ethyl-n'-(5-nitro-2-thiazolyl)urea;urea, 1-ethyl-3-(5-nitro-2-thiazolyl)-;139-94-6","C1(N(=O)=O)=CN=C(NC(=O)NCC)S1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP146","1-ethyl-3-(5-nitro-2-thiazolyl) urea; hepzide; hepzide 30; N-ethyl-N'-(5-nitro-2-thiazolyl)urea.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Unsaturated heterocyclic nitro|SN1 >> Nitrenium Ion formation >> Unsaturated heterocyclic phenylureas",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["23834-30-2","n,n,n'-trimethyl-n'-nitroso-1,2-ethanediamine;methylnitrosamino-n,n-dimethylethylamine;n,n,n'-trimethyl-n'-nitrosoethane-1,2-diamine;1,2-ethanediamine, n,n,n'-trimethyl-n'-nitroso-","C(CN(C)C)N(C)N=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","TOXNET","Methylnitrosamino-N,N-dimethylethylamine","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2",1,"Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"Alkyl and aryl N-nitroso groups",1,"Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor",1]
["121-66-4","2-amino-5-nitrothiazole;5-nitro-thiazol-2-ylamine;2-thiazolamine, 5-nitro-;5-nitrothiazol-2-ylamine;thiazole, 2-amino-5-nitro-;5-nitro-1,3-thiazol-2-amine;5-nitro-2-thiazolamine","C1(N(=O)=O)=CN=C(N)S1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP53","5-nitro-2-aminothiazole; 5-nitro-2-thiazolamine; 5-nitro-2-thiazolylamine; aminonitrothiazole; aminonitrothiazolum; aminzol soluble; amnizol soluble; enheptin; enheptin premix; enheptin-t; Enheptyne; |||entramin; nitramin ido; nitromin ido.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary (unsaturated) heterocyclic amine|SN1 >> Nitrenium Ion formation >> Unsaturated heterocyclic nitro",1,"Nitro-aromatic (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic|Primary aromatic amine,hydroxyl amine and its derived esters",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["68-89-3","dipyrone;methanesulfonic acid, (antipyrinylmethylamino)-, monosodium salt;sodium [(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1h-pyrazol-4-yl)methylamino]methanesulphonate;methanesulfonic acid, [(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1h-pyrazol-4-yl)methylamino]-, sodium salt;methanesulfonic acid, [(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1h-pyrazol-4-yl)methylamino]-, sodiu;sodium [(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1h-pyrazol-4-yl)(methyl)amino]methanesulfonate","C1(=O)C(N(C)CS(=O)(=O)O{-}.[Na]{+})=C(C)N(C)N1c1ccccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","Sodium [(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylamino]methanesulfonate; Metamizole sodium; Sulpyrin.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"No alert found",0,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Tertiary (unsaturated) heterocyclic amine",1,"alpha,beta-unsaturated carbonyls (Genotox)|Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"alpha,beta-unsaturated carbonyls|Hydrazine",1,"alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor|Hydrazine",1]
["115-02-6","azaserine;o-(diazoacetyl)-l-serine;serine, diazoacetate (ester);l-serine, diazoacetate (ester);115-02-6","C(=O)(O)C(N)COC(=O)C=N{+}=N{-}","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","N/A","YES","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","L-Serine, diazoacetate (ester).","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"SN2|SN2 >> Carbenium Ion Formation|SN2 >> Carbenium Ion Formation >> Diazoalkanes",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Diazoalkanes",1,"Aliphatic azo and azoxy (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Carbenium Ion Formation|SN2 >> Carbenium Ion Formation >> Diazoalkanes",1,"Aliphatic azo and azoxy",1,"Aliphatic azo and azoxy|H-acceptor-path3-H-acceptor",1]
["140-56-7","fenaminosulf;fenaminosulf, formulated;sodium (e)-[4-(dimethylamino)phenyl]diazenesulfonate;diazenesulfonic acid, [4-(dimethylamino)phenyl]-, sodium salt;[4-(dimethylamino)phenyl]diazenesulfonic acid, sodium salt","c1(N=NS(=O)(=O)O{-}.[Na]{+})ccc(N(C)C)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","N/A","YES","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP101","para-Dimethylaminobenzenediazosodium sulfonate; bay 5072; bay 72555; bayer 22555; bayer 5072; diazoben; Bravo D; DAPA; deksonal; Dexon; dexoxon; eniamethyl orange; Fenaminosulf; Formulated fenaminosul|||f; gold orange hp; helianthin; Lesan; Methyl orange","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"No alert found",0,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["137-30-4","ziram;zinc, bis(n,n-dimethylcarbamodithioato-.kappa.s,.kappa.s')-, (t-4)-;zinc dimethyldithiocarbamate;zinc, bis(dimethylcarbamodithioato-s,s')-, (t-4)-","C(=S)(N(C)C)S{-}.[Zn]{2+}.S{-}C(=S)N(C)C","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP238","Aaprotect; aavolex; Fuklasin; Fungostop; hermat ZDM; Hexazir; Karbam White; Methasan; methazate; Methyl cymate; Methyl zimate; methyl zineb; methyl ziram; mexene; Mezene; Milam; Milbam; molurame; mycr|||onil; orchard brand ziram; amyl zimate; Pomarsolz; p","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"No alert found",0,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["126-85-2","nitrogen mustard n-oxide;n,nbis(2chloroethyl)methylamine noxide anditssalts;bis(2-chloroethyl)methylamine oxide","C(Cl)CN{+}(C)(O{-})CCCl","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","Toxnet","2-chloro-N-(2-chloroethyl)-N-methyl-Ethanamine, N-oxide; Mitomen.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Nitrogen Mustards",1,"SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> Mustards",1,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Nitrogen Mustards",1,"Aliphatic halogens",1,"Aliphatic halogen",1]
["2257-09-2","benzene,;2-phenylethyl isothiocyanate;phenethyl isothiocyanate;2-phenethylisothiocyanate;benzene, (2-isothiocyanatoethyl)-;(2-isothiocyanatoethyl)benzene;isothiocyanic acid, phenethyl ester","c1(CCN=C=S)ccccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB & Toxnet",null,"Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"No alert found",0,"Acylation|Acylation >> Isocyanates and Isothiocyanates|Acylation >> Isocyanates and Isothiocyanates >> Isothiocyanates|Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes",1,"Isocyanate and isothiocyanate groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Isocyanate and isothiocyanate groups",1,"Isocyanate and isothiocyanate groups",1]
["55-98-1","myleran;mylerlan;busulfan;1,4-butanediol, dimethanesulfonate;butane-1,4-diyl dimethanesulfonate;dimethanesulfonate-1,4-butanediol","C(CCCOS(C)(=O)=O)OS(C)(=O)=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB & IARC","1,4-Dimesyloxybutane; 1,4-Bis(methanesulfonyloxy)butane; 1,4-Di(methylsulfonoxy)butane; 1,4-Dimethylsulfonyloxybutane; 1,4-Butanediol dimethanesulfonate; 1,4-Butanediol dimethylsulfonate; 1,4-Butanedi|||yl dimethanesulfonate; 2041 C. B.; AN 33501; Busulfa","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Sulfonates and Sulfates",1,"SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Sulfonates",1,"No alert found",0,"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Sulfonates and Sulfates",1,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["302-01-2","hydrazine;hydrazine,itsderivativesandtheirsalts","NN","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","Diamide; Diamine; Hydrazine base; hydrazine sulfate.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Nucleophilic addition|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization >> Hydrazine Derivatives|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Hydrazine Derivatives",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Hydrazine",1,"Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Hydrazine",1,"H-acceptor-path3-H-acceptor|Hydrazine",1]
["142-83-6","2,4-hexadienal;trans,trans-2,4-hexadienal;2,4-hexadienal (89% trans,trans-, 11% cis,trans-);trans, trans-2,4-hexadienal;2,4-hexadienal, (e,e)-;sorbaldehyde;hexa-2,4-dienal;2,4-hexadienal, (2e,4e)-;142-83-6","C(=O)C=CC=CC","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP509","2,4-Hexadien-1-al; 2,4-Hexadienal, (E,E)-; 2-Propylene acrolein; (E,E)-2,4-Hexadien-1-al; Sorbic aldehyde; trans,trans-2,4-Hexadien-1-al; trans,trans-2,4-Hexadienal; trans,trans-4-Hexadienal.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Michael addition|Michael addition >> alpha, beta-unsaturated carabonyl compounds|Michael addition >> alpha, beta-unsaturated carabonyl compounds >> Alpha, Beta-Unsaturated Aldehydes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Alpha, Beta-Unsaturated Aldehydes",1,"Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated aldehydes",1,"alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Michael addition|Michael addition >> alpha, beta-unsaturated carabonyl compounds|Michael addition >> alpha, beta-unsaturated carabonyl compounds >> Alpha, Beta-Unsaturated Aldehydes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Alpha, Beta-Unsaturated Aldehydes",1,"alpha,beta-unsaturated carbonyls",1,"alpha,beta-unsaturated carbonyls",1]
["95-86-3","2,4-diaminophenol;2,4-diamino-phenol;2,4-diaminophenol dihydrochloride;3-amino-4-hydroxy-aniline","c1(O)c(N)cc(N)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP401","2,4-diaminophenol hydrochloride; ACROL; Amidol.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011","137-09-7","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["10026-24-1","cobalt sulfate heptahydrate;cobaltous sulfate, heptahydrate;cobalt(ii) sulfate (1:1), heptahydrate","O_O_O_O_O_O_O_O=S1(=O)O{-}.[Co]{2+}.O{-}1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality, Conflict","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP471","bieberite; cobalt(II) sulfate (1:1) heptahydrate; Cobalt(II)Sulfate Heptahydrate; Cobalt monosulfate, heptahydrate; Cobalt sulfate, 7-hydrate; COBALT SULFATE, 99.999%; Sulfuric acid, cobalt salt, hept|||ahydrate; sulfuric acid, cobalt(2+) salt (1:1), hept","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"No alert found",0,"No alert found",0,"Metals, oxidative stress (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["10034-93-2","hydrazine sulfate;hydrazine sulphate;hydrazine, sulfate (1:1);hydrazinium(2+) sulphate","NN_O=S(=O)(O)O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","Diamidogen sulfate; Diamine Sulfate; Hydrazine and hydrazine sulfate; Hydrazine dihydrogen sulfate salt; Hydrazine hydrogen sulfate; Hydrazinium(2+) sulfate; Hydrazinium sulfate; Hydrazine monosulfate|||; Hydrazine sulfate (1:1).","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"No alert found|Nucleophilic addition|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization >> Hydrazine Derivatives|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Hydrazine Derivatives",1,"No alert found|SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Hydrazine",1,"Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Hydrazine",1,"H-acceptor-path3-H-acceptor|Hydrazine",1]
["8003-22-3","solvent yellow 33;d & c yellow no. 11;c.i. solvent yellow 33;1,3-isobenzofurandione, reaction products with methylquinoline and quinoline;d.c. yellow dye no. 11;2-(2quinoyl)-1,3-indandione","C1(=O)c2c(C(=O)C1c1ccc3c(cccc3)n1)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP463","2-(1,3-dioxoindan-2-yl)quinoline; 2-(2-Quinolyl)-1,3-indandione; 2-(2-Quinolyl)indan-1,3-dione; arlosol yellow s; chinoline yellow d (sol. in spirits); chinoline yellow ZSS; C.I. 47000; C.I. Solvent Y|||ellow 33; d & c yellow 11; nitro fast yellow sl; oil","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["21739-91-3","cytembena","C(Br)(C(=O)c1ccc(OC)cc1)=CC(=O)O{-}.[Na]{+}","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","N/A","YES","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP207","MBBA; (E)-3-p-anisoyl-3-bromoacrylic acid sodium salt; (E)-3-bromo-4-(4-methoxyphenyl)-4-oxo-2-butenoic acid sodium salt.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives",1,"No alert found",0,"Alkylbenzenes (Genotox)|alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives",1,"alpha,beta-unsaturated carbonyls",1,"alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor",1]
["18883-66-4","streptozotocin;streptozocin;glucopyranose, 2-deoxy-2-(3-methyl-3-nitrosoureido)-, d-;d-glucose, 2-deoxy-2-[[(methylnitrosoamino)carbonyl]amino]-;2-deoxy-2-{[methyl(nitroso)carbamoyl]amino}-alpha-d-glucopyranose;2-deoxy-2-[[(methylnitrosoamino)carbonyl]amino]-d-glucose;2-deoxy-2-({[methyl(nitroso)amino]carbonyl}amino)-alpha-d-glucopyranose;d-glucose, 2-deoxy-2-(((methylnitrosoamino)carbonyl)amino)- (9ci)","C(=O)(N(C)N=O)NC1C(O)C(O)C(CO)OC1O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","N/A","YES","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","2-Deoxy-2-(3-methyl-3-nitrosoureido)-alpha(andbeta)-D-glucopyranose; 2-Deoxy-2-(3-methyl-3-nitrosoureido)-D-glucopyranose; 2-deoxy-2-(((methylnitrosoamino)carbonyl)amino)-D-glucopyranose; 2-deoxy-2-[[|||(methylnitrosoamino)carbonyl]amino]-D-glucose; D-2-d","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2",1,"Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"Alkyl and aryl N-nitroso groups",1,"Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor",1]
["2578-75-8","n-(5-(5-nitro-2-furanyl)-1,3,4-thiadiazol-2-yl)acetamide;n-[5-(5-nitro-2-furyl)-1,3,4-thiadiazol-2-yl]acetamide;n-[5-(5-nitrofuran-2-yl)-1,3,4-thiadiazol-2-yl]acetamide;acetamide, n-(5-(5-nitro-2-furanyl)-1,3,4-thiadiazol-2-yl)- (9ci)","C1(C2=CC=C(N(=O)=O)O2)=NN=C(NC(C)=O)S1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","-","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Unsaturated heterocyclic nitro",1,"Aromatic N-acyl amine (Genotox)|Hydrazine (Genotox)|Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Aromatic N-acyl amine|Hydrazine|Nitro-aromatic",1,"Aromatic N-acyl amine|H-acceptor-path3-H-acceptor|Hydrazine|Nitro-aromatic",1]
["3778-73-2","isophosphamide;ifosfamide;1,3,2-oxazaphosphorine, 3-(2-chloroethyl)-2-((2-chloroethyl)amino)tetrahydro-, 2;n,3-bis(2-chloroethyl)-1,3,2-oxazaphosphinan-2-amine 2-oxide;2h-1,3,2-oxazaphosphorine, 3-(2-chloroethyl)-2-((2-chloroethyl)amino)tetrahydro-, 2-oxide (8ci)","C1CCN(CCCl)P(=O)(NCCCl)O1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP32","1,3,2-Oxazaphosphorine, 3-(2-chloroethyl)-2-[(2-chloroethyl)amino]tetrahydro-, 2-oxide; 2,3-N,N(sup 1)-Bis(2-chloroethyl)diamido-1,3,2-oxazaphosphoridinoxy-; 2H-1,3,2-Oxazaphosphorin-2-amine, N,3-bis(|||2-chloroethyl)tetrahydro-, 2-oxide; 3-(2-Chloroethyl","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Nitrogen Mustards|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> Mustards",1,"No alert found",0,"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["1456-28-6","2,6-dimethyl-n-nitrosomorpholine;nitroso-2,6-dimethylmorpholine;n-nitroso-2,6-dimethylmorpholine;2,6-dimethyl-4-nitrosomorpholine;morpholine, 2,6-dimethyl-4-nitroso- (8ci)(9ci)","C1(C)CN(N=O)CC(C)O1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","N/A","YES","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","Toxnet","2,6-Dimethyl-N-nitrosomorpholine.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2",1,"Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"Alkyl and aryl N-nitroso groups",1,"Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor",1]
["3817-11-6","n-butyl-n-(4-hydroxybutyl)nitrosamine;4-[butyl(nitroso)amino]butan-1-ol;4-hydroxybutyl butyl nitrosamine;3817-11-6","C(O)CCCN(CCCC)N=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","4-butylnitrosamino-1-butanol; 4-hydroxybutylbutylnitrosamine; 4-hydroxy-N-nitrosodibutylamine; 4-(n-butylnitrosamino)-1-butanol; BBN; butanol (4)-butyl-nitrosamine; Butyl-butanol-nitrosamine; n-butyl-|||(4-hydroxybutyl)nitrosamine.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2",1,"Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"Alkyl and aryl N-nitroso groups",1,"Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor",1]
["7446-34-6","selenium sulfide","S=[Se]","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP194","selenium monosulfide; selsun sulfide; sulfur selenide.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0]
["7758-01-2","potassium bromate;bromic acid, potassium salt","O=Br(=O)O{-}.K{+}","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","Bromic acid, potassium salt; POTASSIUM BROMATE BAKER ANAL ACS Rgnt.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0]
["7722-84-1","hydrogen peroxide;hydrogen peroxide (h2o2);hydrogen peroxide/peroxyacetic acid mixture;hydrogen peroxide/peracetic acid (proxitane);hydrogen peroxide/peracetic acid (vigor ox)","OO","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","Albone; dihydrogen dioxide; H2O2; Hioxy; hydrogen dioxide; HYDROGEN PEROXIDE, 30%; Hydroperoxide; Inhibine; Oxydol; Perhydrol; Peroxan; peroxide; superoxol; t-stuff.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["5634-39-9","iodinated glycerol;2-(1-iodoethyl)-1,3-dioxolan-4-ylmethanol;[2-(1-iodoethyl)-1,3-dioxolan-4-yl]methanol;iodinated glycerol (organidin®.);1,3-dioxolane-4-methanol, 2-(1-iodoethyl)-","C1(C(C)I)OC(CO)CO1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","N/A","YES","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP340","2-(1-iodoethyl)-1,3-dioxolane-4-methanol; iodoglycerin; iodopropylidene glycerol; organidin.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Heteroatom",1,"SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides",1,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aliphatic halogens",1,"Aliphatic halogen|H-acceptor-path3-H-acceptor",1]
["6369-59-1","2,5-toluenediamine sulfate;2,5-diaminotoluene sulfate;toluenediamine sulfate, 2,5-;2-methyl-p-phenylenediamine sulphate;1,4-benzenediamine, 2-methyl-, sulfate;2-methylbenzene-1,4-diamine sulfate;2-methyl-1,4-benzenediamine sulfate","c1(N)c(C)cc(N)cc1_O=S(=O)(O)O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP126","2,5-TDS; 2-methyl-1,4-Benzenediamine sulfate; 2-methyl-p-phenylenediamine sulfate; para, meta-tolylenediamine sulfate; para-Toluenediamine sulfate; C.I. 76043; C.I. oxidation base 4; fouramine std; ox|||idation base 14; toluene-2,5-diamine sulfate; toluyl","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"No alert found|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"No alert found|SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"No alert found",0,"No alert found|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["142713-78-8","n,n-dimethylaminoethylnitrosoethylurea, nitrite salt","C(N)(=O)N(CCN(C)C)CCN=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","Low Quality, Conflict","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB",null,"Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"No alert found",0,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["101-25-7","n,n-dinitrosopentamethylenetetramine","C(=O)N1CN2CN(N=O)CN(C2)C1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","Low Quality, Conflict","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","3,7-dinitroso-1,3,5,7-tetraazabicyclo[3.3.1]nonane.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2",1,"Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"Alkyl and aryl N-nitroso groups",1,"Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor",1]
["55557-02-3","n-nitrosoguvacoline","C(=O)(O)C1=CCCN(N=O)C1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","Low Quality, Conflict","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","methyl 1-nitroso-1,2,5,6-tetrahydropyridine-3-carboxylate","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2",1,"Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"Alkyl and aryl N-nitroso groups",1,"Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor",1]
["1271-19-8","titanocene dichloride","C{-}1(.[Ti]{4+}(.Cl{-})(.Cl{-}).C{-}2CCCC2)CCCC1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","Low Quality, Conflict","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP399","dichlorodicyclopentadienyltitanium; dichlorobis(eta(sup 5)-2,4-cyclopentadien-1-yltitanium); dichlorodi-pi-cyclopentadienyltitanium; dichlorotitanocene; bis(cyclopentadienyl)dichlorotitanium; biscyclo|||pentadienyltitanium dichloride; biscyclopentadienylt","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0]
["7782-79-8","sodium azide","N#N=N{-}.[Na]{+}","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","Low Quality, Conflict","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP389","Azium; Smite; Hydrazoic acid, sodium salt; U-3886.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011","26628-22-8","No alert found",0,"No alert found",0,"Azide and triazene groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Azide and triazene groups",1,"Azide and triazene groups",1]
["19010-66-3","lead, bis(dimethylcarbamodithioato-s,s')-, (t-4)-;lead, bis(dimethylcarbamodithioato-s,s )-, (t-4)-;lead, bis(dimethyldithiocarbamato)-;lead, bis(dimethylcarbamodithioato-s,s')-, (t-4)-\"\"\";lead bis(dimethyldithiocarbamate);lead(2+) bis(dimethylcarbamodithioate)","C(=S)(N(C)C)S{-}.[Pb]{2+}.S{-}C(=S)N(C)C","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP151","bis(dimethyldithiocarbamato)lead; dimethyldithiocarbamic acid, lead salt; Lead dimethyldithiocarbamate; Lead Dimethyldithiocarbamate -Arc.; Ledate; methyl ledate.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"No alert found",0,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["54749-90-5","chlorozotocin","C(=O)(N(CCCl)N=O)NC(C(O)C(O)C(O)CO)C=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","Low Quality, Conflict","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","2-[3-(2-Chloroethyl)-3-nitrosoureido]-D-glucopyranose; DCNU; D-Glucopyranose, 2-[[[(2-chloroethyl)nitrosoamino]carbonyl]amino]-2-deoxy-; D-Glucose, 2-[[[(2-chloroethyl)nitrosoamino]carbonyl]amino]-2-d|||eoxy-.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives|SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Nitrogen Mustards",1,"Schiff base formers|Schiff base formers >> Direct Acting Schiff Base Formers|Schiff base formers >> Direct Acting Schiff Base Formers >> Mono aldehydes|SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> Mustards|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2",1,"Alkyl and aryl N-nitroso groups (Genotox)|Simple aldehyde (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"Alkyl and aryl N-nitroso groups|Simple aldehyde",1,"Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor|Simple aldehyde",1]
["7664-38-2","chlorinated trisodium phosphate","O=P(O{-}.[Na]{+})(O{-}.[Na]{+})O{-}.[Na]{+}","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","Low Quality, Conflict","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP294","Phosphoric acid, trisodium salt (chlorinated); sodium hypochlorite phosphate; Sodium hypochlorite phosphate (Na4(ClO)(PO4)).","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011","56802-99-4","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["100-63-0","phenylhydrazine hydrochloride","c1(NN)ccccc1_Cl","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","Low Quality, Conflict","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","Phenylhydrazinium chloride; Phenylhydrazine monohydrochloride.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011","59-88-1","No alert found|Nucleophilic addition|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization >> Hydrazine Derivatives|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Hydrazine Derivatives",1,"No alert found|SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Hydrazine",1,"Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found|Nucleophilic addition|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization >> Hydrazine Derivatives|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Hydrazine Derivatives",1,"Hydrazine",1,"H-acceptor-path3-H-acceptor|Hydrazine",1]
["51715-17-4","nitrosochlordiazepoxide","c1(C2c3c(ccc(Cl)c3)N=C(N(C)N=O)CN{+}=2.O{-})ccccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","Low Quality, Conflict","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","N-Nitrosochlorodiazepoxide; 7-chloro-N-methyl-N-nitroso-5-phenyl-3H-1,4-benzodiazepin-2-amine 4-oxide","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2",1,"Alkyl and aryl N-nitroso groups (Genotox)|Halogenated benzene (Nongenotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"Alkyl and aryl N-nitroso groups",1,"Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor",1]
["446-86-6","azathioprine;1h-purine, 6-[(1-methyl-4-nitro-1h-imidazol-5-yl)thio]-;6-[(1-methyl-4-nitro-1h-imidazol-5-yl)sulfanyl]-1h-purine","c1(SC2=C(N(=O)=O)N=CN2C)c2c(ncn1)NC=N2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","6-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]-1H-Purine; 6-(1-methyl-p-nitro-5-imidazolyl)-thiopurine; 6-((1-methyl-4-nitroimidazol-5-yl)thio)purine; 6-(methyl-p-nitro-5-imidazolyl)-thiopurine; azatiopr|||in; azothioprine; bw 57-322; ccucol; Cytostatics; Im","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Unsaturated heterocyclic nitro",1,"Imidazole, benzimidazole (Nongenotox)|Nitro-aromatic (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["N/A","trans-2-[(dimethylamino)methylimino]-5-[2-(5-nitro-2-furyl)vinyl]-1,3,4-oxadiazole","C1(C=CC2=CC=C(N(=O)=O)O2)=NN=C(N=CN(C)C)O1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","N/A","YES","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","IARC",null,"Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Unsaturated heterocyclic nitro",1,"Hydrazine (Genotox)|Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Hydrazine|Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Hydrazine|Nitro-aromatic",1]
["551-09-7","n-1-naphthylethylenediamine dihydrochloride;1,2-ethanediamine, n-1-naphthalenyl-;n-(1-naphthyl)ethylenediamine;ethylenediamine, n-1-naphthyl-;n-(naphthalen-1-yl)ethane-1,2-diamine","c1(NCCN)c2c(cccc2)ccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP168","1-amino-2-(alpha-naphthylamino)ethane dihydrochloride; Marshall's reagent; N-1-naphthyl-1,2-ethanediamine dihydrochloride; N-alpha-naphthylethylenediamine dihydrochloride.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011","1465-25-4","No alert found",0,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Secondary aromatic amine",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["132-32-1","3-amino-9-ethylcarbazole;9-ethylcarbazol-3-ylamine;9h-carbazol-3-amine, 9-ethyl-;carbazole, 3-amino-9-ethyl-;9-ethyl-9h-carbazol-3-amine","c12-c3c(ccc(N)c3)N(CC)c1cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP93","9H-Carbazol-3-amine, 9-ethyl.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",{"$f":"IF(X258=\"No alert found\",0,1)","v":1},"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",{"$f":"IF(Z258=\"No alert found\",0,1)","v":1},"Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",{"$f":"IF(AB258=\"No alert found\",0,1)","v":1},"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",{"$f":"IF(AD258=\"No alert found\",0,1)","v":1},"Heterocyclic Polycyclic Aromatic Hydrocarbons|Primary aromatic amine,hydroxyl amine and its derived esters",{"$f":"IF(AF258=\"No alert found\",0,1)","v":1},"Heterocyclic Polycyclic Aromatic Hydrocarbons|Primary aromatic amine, hydroxyl amine and its derived esters",{"$f":"IF(AH258=\"No alert found\",0,1)","v":1}]
["104-94-9","p-anisidine hydrochloride","c1(N)ccc(CO)cc1_Cl","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","Low Quality, Conflict","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP116","1-amino-4-methoxybenzene hydrochloride; p-aminoanisole hydrochloride; p-Anisidinium chloride; p-anisylamine hydrochloride; 4-methoxy-1-aminobenzene hydrochloride; p-methoxyanilinium chloride; 4-methox|||y-aniline hydrochloride; p-anisidine monohydrochlori","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011","20265-97-8","No alert found|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"No alert found|SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"Primary aromatic amine, hydroxyl amine and its derived esters",1]
["26471-62-5","toluene diisocyanate","c1(C)c(N=C=O)cc(N=C=O)cc1_c1(N=C=O)c(C)c(N=C=O)ccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","N/A","YES","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP251","2,4 + 2,6-Toluenediisocyanate; 2,4-/2,6-Toluene diisocyanate mixture; Toluene diisocyanate (unspecified isomer); Toluene diisocyantes (mixture); tolylene isocyanate; 2,4 (80%)- and 2,6 (20%)- Toluene |||Diisocyanate; 2,4 (80)-and 2,6 (20)-Toluene Diisocya","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"No alert found",0,"Acylation|Acylation >> Isocyanates and Isothiocyanates|Acylation >> Isocyanates and Isothiocyanates >> Isocyanates",1,"Isocyanate and isothiocyanate groups (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Isocyanate and isothiocyanate groups|Primary aromatic amine,hydroxyl amine and its derived esters",1,"Isocyanate and isothiocyanate groups|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["2735-04-8","2,4-dimethoxyaniline hydrochloride;2,4-dimethoxyaniline;aniline, 2,4-dimethoxy-;benzenamine, 2,4-dimethoxy-","c1(N)c(OC)cc(OC)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP171","2-methoxy-p-anisidine hydrochloride; 4-methoxy-o-anisidine hydrochloride.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011","54150-69-5","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"1,3-dialkoxy-benzene|H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["3567-69-9","c.i. food red 3;c.i. acid red 14;acid red 14 (ic);azorubine;carmoisine;disodium 4-hydroxy-3-[(4-sulfonatonaphthalen-1-yl)diazenyl]naphthalene-1-sulfonate;c.i. acid red 14, disodium salt;1-naphthalenesulfonic acid, 4-hydroxy-3-Х(4-sulfo-1-naphthalenyl)azoе-, disodium salt;azo rubine","c1(S(=O)(=O)O{-}.[Na]{+})c2c(c(O)c(N=Nc3c4c(c(S(=O)(=O)O{-}.[Na]{+})cc3)cccc4)c1)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality, Conflict","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP220","11959 red; 2-(4-sulfo-1-naphthylazo)-1-naphthol-4-sulfonic acid, disodium salt; 4-hydroxy-3,4'-azodi-1-naphthalenesulfonic acid, disodium salt; 4-hydroxy-3-[(4-sulfo-1-naphthyl)azo]-1-Naphthalenesulfo|||nic acid, disodium salt; acetacid red b; acid brilli","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"No alert found",0,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic azo",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["67730-11-4","glu-p-1;dipyrido(1,2-a:3',2'-d)imidazole, 2-amino-6-methyl-","c12c(ccc(N)n1)Nc1c(C)cccn-21","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","Low Quality, Conflict","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","2-Amino-6-methyldipyrido[1,2-a:3',2'-d]imidazole.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["1694-09-3","c.i. acid violet 49 (sodium salt);acid violet 6b","c1(C(c2ccc(N(Cc3cc(S(=O)(=O)O)ccc3)CC)cc2)=C2C=CC(=N{+}(Cc3cc(S(=O)(=O)O{-}.[Na]{+})ccc3)CC)C=C2)ccc(N(C)C)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","N/A","YES","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","11386 violet; acid fast violet 5bn; acid violet; acid violet 49; acid violet 4bnp; acid violet 4bns; acid violet 5b; acid violet 5bn; Acid Violet 6B; acid violet s; acilan violet s4bn; a.f. violet no |||1; aizen acid violet 5bh; aizen food violet no. 1; a","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"No alert found",0,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["7782-77-6","sodium nitrite;nitrosyl hydroxide;nitrous acid","N(=O)O{-}.[Na]{+}","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","Low Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","Anti-rust; diazoting salts; erinitrit; Filmerine.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011","7632-00-0","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["6373-74-6","c.i. acid orange 3;sodium 2-anilino-5-(2,4-dinitroanilino)benzenesulphonate;sodium 5-[(2,4-dinitrophenyl)amino]-2-(phenylamino)benzenesulfonate","c12c(N(=O)=O)cc(cc1)N{+}(=O)(O{-}.[Na]{+}).O{-}S(=O)(=O)c1c(Nc3ccccc3)ccc(c1)N2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality, Conflict","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP335","5-((2,4-dinitrophenyl)amino)-2-(phenylamino)benzenesulfonic acid, monosodium salt; acid fast yellow ag; acid fast yellow E5R; acid leather light brown g; acid orange 3; acid orange no. 3; acid yellow |||e; airedale yellow e; amido yellow e; amido yellow e","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["119-90-4","3,3'-dimethoxybenzidine dihydrochloride","c1(-c2cc(OC)c(N)cc2)cc(OC)c(N)cc1_Cl_Cl","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","Low Quality, Conflict","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB & NTP372","ortho-Dianisidine dihydrochloride; 3,3'-dimethoxy-[1,1'-biphenyl]-4,4'-diamine, dihydrochloride; dianisidine dihydrochloride; ci disperse black 6 dihydrochloride.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011","20325-40-0","No alert found|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"No alert found|SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["59-96-1","phenoxybenzamine hydrochloride","c1(CN{+}(.Cl{-})(C(C)COc2ccccc2)CCCl)ccccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","Low Quality, Conflict","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP72","2-(N-benzyl-2-chloroethylamino)-1-phenoxypropane hydrochloride; 688A; bensylyt nen; benzyl(2-chloroethyl)(1-methyl-2-phenoxyethyl)amine hydrochloride; benzylyt; dibenylin; dibenzyline; Dibenzyline hyd||ochloride; fenoxybenzamin; N-(2-chloroethyl)-N-(1-met","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011","63-92-3","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Nitrogen Mustards",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes|SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> Mustards",1,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aliphatic halogens",1,"Aliphatic halogen|H-acceptor-path3-H-acceptor",1]
["479-73-2","c.i. basic red 9 hydrochloride","c1(C(c2ccc(N)cc2)=C2C=CC(=N{+}.Cl{-})C=C2)ccc(N)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","N/A","YES","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP285","4,4'-((4-imino-2,5-cyclohexadien-1-ylidene)methylene)dianiline monohydrochloride; 4-((4-aminophenyl)(4-imino-2,5-cyclohexadien-1-ylidene)methyl)benzenamine monohydrochloride; p-fuchsin; Paramagenta; P|||ararosanilin; pararosaniline chloride; Pararosanilin","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011","569-61-9","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"Primary aromatic amine, hydroxyl amine and its derived esters",1]
["92-62-6","proflavine hydrochloride","c12c(cc3c(cc(N)cc3)n1)ccc(N)c2_Cl","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","Low Quality, Conflict","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP5","3,6-acridinediamine monohydrochloride; 3,6-diaminoacridine hydrochloride; 3,6-diaminoacridinium chloride; 3,6-diaminoacridine monohydrochloride; proflavine hydrochloride hemihydrate; proflavine monohy|||drochloride.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011","952-23-8","No alert found|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition|No alert found|SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons|Primary aromatic amine,hydroxyl amine and its derived esters",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["106-47-8","p-chloroaniline hydrochloride","c1(Cl)ccc(N)cc1_Cl","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","Low Quality, Conflict","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP351","4-chlorobenzenamine hydrochloride.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011","20265-96-7","No alert found|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"No alert found|SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"Primary aromatic amine, hydroxyl amine and its derived esters",1]
["156-62-7","calcium cyanamide;cyanamide, calcium salt;cyanamide, calcium salt (1:1)","C(#N)N=[Ca]","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","Moderate Quality, Conflict","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP163","aero-cyanamid; Alzodef; Alzodex; Calcium Carbamide; Calcium Carbimide; Cyanamide, calcium; Cyanamide, Calcium Salt (1:1); Cyanamid pam-amd; cy-l 500; Lime Nitrogen; nitrogen lime; nitrolime; Temposil.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0]
["16071-86-6","c.i. direct brown 95;cuprate(2-), [5-[[4’-[[2,6-dihydroxy-3-[(2-hydroxy-5-sulfophenyl)azo]phenyl]azo][1,1’-biphenyl]-4-yl]azo]-2-hydroxybenzoato(4-)]-, disodium","C(=O)(c1c(O)ccc(N=Nc2ccc(-c3ccc(N=Nc4c5c(ccc4O)N4=Nc6c(ccc(S(=O)(=O)O{-}.[Na]{+})c6)O{-}.[Cu]{2+}4.O{-}5)cc3)cc2)c1)O{-}.[Na]{+}","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","Low Quality, Conflict","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP108","paranol fast brown brl; [5-[[4'-[[2,5-dihydroxy-4-[(2-hydroxy-5-sulfophenyl)azo]phenyl]azo][1,1'-biphenyl]-4-yl]azo]-2-hydroxybenzoato(2-)]copper, disodium salt; aizen primula brown brlh; amanil fast |own brl; atlantic fast brown brl; belamine fast brown","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"No alert found",0,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic azo",1,"Aromatic diazo (Genotox)|Metals, oxidative stress (Nongenotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"No alert found",0,"Aromatic diazo",1,"Aromatic diazo|H-acceptor-path3-H-acceptor",1]
["135-20-6","cupferron","c1(N(O{-})N=O)ccccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","Low Quality, Conflict","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP100","Ammonium Nitrosophenylhydroxylamine; ammonium N-nitrosophenylhydroxylamine; Ammonium salt of N-hydroxy-N-nitrosoaniline; N-hydroxy-N-nitrosobenzenamine ammonium salt; N-nitroso-N-phenylhydroxylamine, |||ammonium salt; N-nitrosophenylhydroxylamine ammonium","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"No alert found",0,"Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"Alkyl and aryl N-nitroso groups",1,"Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor",1]
["34627-78-6","1'-acetoxysafrole","c12c(cc(CC=COC(C)=O)cc1)COC2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","Low Quality, Conflict","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","-","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Specific Acetate Esters|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Specific Acetate Esters|SN2|SN2 >> Acylating agents|SN2 >> Acylating agents >> Specific Acetate Esters|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Specific Acetate Esters",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes|SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Allyl benzenes",1,"Alkylbenzenes (Genotox)|alpha,beta-unsaturated aliphatic alkoxy group (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"alpha,beta-unsaturated aliphatic alkoxy group",1,"alpha,beta-unsaturated aliphatic alkoxy group|H-acceptor-path3-H-acceptor",1]
["67587-52-4","n-nitroso-2-hydroxymorpholine;4-nitrosomorpholin-2-ol","C1(O)CN(N=O)CCO1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","Toxnet","4-Nitrosomorpholinol","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2",1,"Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"Alkyl and aryl N-nitroso groups",1,"Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor",1]
["89911-79-5","n-nitroso(2,3-dihydroxypropyl)(2-hydroxypropyl)amine;n-nitroso-2,3-dihydroxypropyl-2-hydroxypropylamine;1,2-propanediol, 3-((2-hydroxypropyl)nitrosoamino)-;3-[(2-hydroxypropyl)(nitroso)amino]propane-1,2-diol","C(C)(O)CN(CC(O)CO)N=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","-","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2",1,"Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"Alkyl and aryl N-nitroso groups",1,"Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor",1]
["16813-36-8","1-nitroso-5,6-dihydrouracil;1-nitrosodihydropyrimidine-2,4(1h,3h)-dione;2,4(1h,3h)-pyrimidinedione, dihydro-1-nitroso- (9ci);dihydro-2,4(1<i>h</i>,3<i>h</i>)-pyrimidinedione;1-nitroso","C1(=O)CCN(N=O)C(=O)N1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","-","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2",1,"Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"Alkyl and aryl N-nitroso groups",1,"Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor",1]
["943-41-9","n-nitroso-n-methyl-4-nitroaniline;n-methyl-4-nitro-n-nitrosoaniline","c1(N(=O)=O)ccc(N(C)N=O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB & IARC","N-Methyl-p-nitro-N-nitrosoaniline","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2",1,"Alkyl and aryl N-nitroso groups (Genotox)|Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"Alkyl and aryl N-nitroso groups|Nitro-aromatic",1,"Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["56222-35-6","n-nitroso-3-hydroxypyrrolidine;3-hydroxy-1-nitrosopyrrolidine;1-nitrosopyrrolidin-3-ol;3-pyrrolidinol, 1-nitroso-","C1(O)CCN(N=O)C1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","1-nitrosopyrrolidin-3-ol","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2",1,"Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"Alkyl and aryl N-nitroso groups",1,"Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor",1]
["55090-44-3","n-methyl-n-nitroso-1-dodecanamine;n-nitroso-n-methyl-n-dodecylamine;n-methyl-n-nitrosododecan-1-amine;dodecylamine, n-methyl-n-nitroso-","C(CCCCCCCCCCC)N(C)N=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","Nitroso-N-methyl-N-dodecylamine.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2",1,"Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"Alkyl and aryl N-nitroso groups",1,"Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor",1]
["62641-67-2","1-nitroso-5,6-dihydrothymine;5-methyl-1-nitrosodihydropyrimidine-2,4(1h,3h)-dione;2,4(1h,3h)-pyrimidinedione, dihydro-5-methyl-1-nitroso- (9ci)","C1(=O)C(C)CN(N=O)C(=O)N1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","5-methyl-1-nitrosodihydropyrimidine-2,4(1H,3H)-dione","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2",1,"Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"Alkyl and aryl N-nitroso groups",1,"Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor",1]
["53757-28-1","4-(5-nitro-2-furyl)thiazole;4-(5-nitrofuran-2-yl)-1,3-thiazole;thiazole, 4-(5-nitro-2-furyl)-","C1(C2=CC=C(N(=O)=O)O2)=CSC=N1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","-","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Unsaturated heterocyclic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["36133-88-7","n-{[3-(5-nitro-2-furyl)-1,2,4-oxadiazole-5-yl]-methyl}acetamide;n-{[3-(5-nitrofuran-2-yl)-1,2,4-oxadiazol-5-yl]methyl}acetamide;acetamide, n-((3-(5-nitro-2-furyl)-1,2,4-oxazol-5-yl)methyl)-","C1(C2=CC=C(N(=O)=O)O2)N=C(CNC(C)=O)ON=1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","-","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Unsaturated heterocyclic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["51325-35-0","n,n'-[6-(5-nitro-2-furyl)-s-triazine-2,4-diyl]bisacetamide;n,n'-[6-(5-nitrofuran-2-yl)-1,3,5-triazine-2,4-diyl]diacetamide;s-triazine, 2,4-diacetamido-6-(5-nitro-2-furyl)-","c1(C2=CC=C(N(=O)=O)O2)nc(NC(C)=O)nc(NC(C)=O)n1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","-","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Unsaturated heterocyclic nitro",1,"Aromatic N-acyl amine (Genotox)|Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Aromatic N-acyl amine|Nitro-aromatic",1,"Aromatic N-acyl amine|H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["531-82-8","n-(4-(5-nitro-2-furyl)-2-thiazolyl)acetamide;n-[4-(5-nitro-2-furyl)-2-thiazolyl]acetamide;n-(4-(5 nitro-2-furyl)-2-thiazolyl)acetamide;n-[4-(5-nitrofuran-2-yl)-1,3-thiazol-2-yl]acetamide;acetamide, n-(4-(5-nitro-2-furyl)-2-thiazolyl)-","C1(C2=CC=C(N(=O)=O)O2)=CSC(NC(C)=O)=N1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","FURATHIAZOLE; Furium; NFTA.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Unsaturated heterocyclic nitro",1,"Aromatic N-acyl amine (Genotox)|Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Aromatic N-acyl amine|Nitro-aromatic",1,"Aromatic N-acyl amine|H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["772-43-0","5-nitro-2-furamidoxine;5-nitro-2-furamidoxime;n'-hydroxy-5-nitrofuran-2-carboximidamide","C(N)(C1=CC=C(N(=O)=O)O1)=NO","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","N/A","YES","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","N-Hydroxy-5-nitro-2-furancarboximidamide","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> N-hydroxylamines|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Unsaturated heterocyclic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["92-55-7","5-nitro-2-furanmethanediol diacetate;2-no2-5-di-(acetoxymethyl)furane;5-nitrofurfurylidene di(acetate);methanediol, (5-nitro-2-furanyl)-, diacetate (ester);(5-nitro-2-furyl)methylene diacetate;(5-nitrofuran-2-yl)methanediyl diacetate","C1(C(OC(C)=O)OC(C)=O)=CC=C(N(=O)=O)O1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","Nitrofuraldehyde diacetate","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Specific Acetate Esters|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Specific Acetate Esters|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> Acylating agents|SN2 >> Acylating agents >> Specific Acetate Esters|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Specific Acetate Esters",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Unsaturated heterocyclic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Specific Acetate Esters|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Specific Acetate Esters|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> Acylating agents|SN2 >> Acylating agents >> Specific Acetate Esters|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Specific Acetate Esters",1,"Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["613-50-3","6-nitroquinoline;quinoline, 6-nitro-","c12c(cc(N(=O)=O)cc1)cccn2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB",null,"Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"Nitro-aromatic",1]
["5522-43-0","1-nitropyrene;pyrene, 1-nitro-","c12c3c4c(c(N(=O)=O)ccc4ccc3ccc1)cc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB & Toxnet",null,"Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Nitro-aromatic|Polycyclic Aromatic Hydrocarbons",1,"Nitro-aromatic|Polycyclic Aromatic Hydrocarbons",1]
["607-35-2","8-nitroquinoline;quinoline, 8-nitro-","c1(N(=O)=O)c2c(cccn2)ccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","-","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["51-75-2","nitrogen mustard;mechlorethamine;chlormethine;2-chloro-n-(2-chloroethyl)-n-methylethanamine;ethanamine, 2-chloro-n-(2-chloroethyl)-n-methyl-;chlormethine(inn) anditssalts;51-75-2","C(Cl)CN(C)CCCl","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","2,2'-Dichloro-N-methyldiethylamine; 2-chloro-N-(2-chloroethyl)-N-methylethanamine; Bis(2-chloroethyl)methylamine; Bis(beta-chloroethyl) methylamine; Dichloren; Caryolysine; Chlormethine; HN-2; MBA; Me|||chloroethamine; Mechlorethanamine; Mustine Note; N,N","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Nitrogen Mustards",1,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines|SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> Mustards",1,"S or N mustard (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Nitrogen Mustards",1,"S or N mustard",1,"S or N mustard",1]
["555-84-0","1-((5-nitrofurfurylidene)amino)-2-imidazolidinone;1-[(5-nitrofurfurylidene)amino]-2-imidazolidinone;nifuradene;1-{[(1e)-(5-nitrofuran-2-yl)methylidene]amino}imidazolidin-2-one;2-imidazolidinone, 1-(((5-nitro-2-furanyl)methylene)amino)-","C1(C=NN2C(=O)NCC2)=CC=C(N(=O)=O)O1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB",null,"Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Unsaturated heterocyclic nitro",1,"Hydrazine (Genotox)|Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Hydrazine|Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Hydrazine|Nitro-aromatic",1]
["79-46-9","propane, 2-nitro-;2-nitropropane;2nitropropane;79-46-9","C(C)(C)N(=O)=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB",null,"Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0]
["20917-49-1","nitrosoheptamethyleneimine;n-nitroso-heptamethyleneimine;1-nitrosoazocane;azocine, octahydro-1-nitroso-;20917-49-1","C1CCCCCCN1N=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","N-Nitroso-heptamethyleneimine.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2",1,"Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"Alkyl and aryl N-nitroso groups",1,"Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor",1]
["614-95-9","nitrosoethylurethane;ethylnitrosocarbamic acid, ethyl ester;ethyl ethyl(nitroso)carbamate;carbamic acid, ethylnitroso-, ethyl ester","C(=O)(N(CC)N=O)OCC","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","1-Ethyl-1-nitrosourethane; Ethyl Ethylnitrosocarbamate -Carc.; N-Nitroso-N-ethylurethane.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2",1,"Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"Alkyl and aryl N-nitroso groups",1,"Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor",1]
["42579-28-2","1-nitrosohydantoin;1-nitrosoimidazolidine-2,4-dione;2,4-imidazolidinedione, 1-nitroso-","C1(=O)CN(N=O)C(=O)N1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","1-nitrosoimidazolidine-2,4-dione","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2",1,"Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"Alkyl and aryl N-nitroso groups",1,"Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor",1]
["40580-89-0","nitrosododecamethyleneimine;1-nitrosoazacyclotridecane;azacyclotridecane, 1-nitroso-","C1CCCCCCCCCCCN1N=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","-","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2",1,"Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"Alkyl and aryl N-nitroso groups",1,"Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor",1]
["10595-95-6","n-nitrosomethylethylamine;nitrosoethylmethylamine;n-methyl-n-nitrosoethamine;n-methyl-n-nitrosoethanamine;ethylamine, n-methyl-n-nitroso-;10595-95-6","C(C)N(C)N=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","N,N-Methylethylnitrosamine","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2",1,"Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"Alkyl and aryl N-nitroso groups",1,"Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor",1]
["16219-98-0","2-nitrosomethylaminopyridine;n-methyl-n-nitrosopyridin-2-amine;2-pyridinamine, n-methyl-n-nitroso- (9ci);16219-98-0","c1(N(C)N=O)ccccn1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","-","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2",1,"Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"Alkyl and aryl N-nitroso groups",1,"Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor",1]
["55984-51-5","n-nitrosomethyl(2-oxopropyl)amine;1-[methyl(nitroso)amino]propan-2-one;2-propanone, 1-(methylnitrosoamino)-","C(C)(=O)CN(C)N=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","(2-Oxopropyl)methylnitrosamine","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2",1,"Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"Alkyl and aryl N-nitroso groups",1,"Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor",1]
["86451-37-8","n-nitrosomethyl(2,3-dihydroxypropyl)amine;n-nitrosomethyl-2,3-dihydroxypropylamine;n-nitroso(methyl)-2,3-dihydroxypropylamine;3-[methyl(nitroso)amino]propane-1,2-diol","C(O)(CN(C)N=O)CO","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","-","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2",1,"Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"Alkyl and aryl N-nitroso groups",1,"Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor",1]
["75411-83-5","n-nitroso(methyl)-2-hydroxypropylamine","C(C)(O)CN(C)C=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","Low Quality, Conflict","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","-","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"No alert found",0,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["621-64-7","n,n-dipropylnitrosamine;n-nitrosodipropylamine;n-nitroso(di-n-propyl)amine;nitrosodipropylamine;1-propanamine, n-nitroso-n-propyl-;n-nitroso-n-propylpropan-1-amine;nitrosaminese.g.dimethylnitrosoamine;2,2'nitrosoimino)bisethanol;n-nitroso-n-propyl-1-propanamine","C(CC)N(CCC)N=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","Di-n-propylnitrosamine; Dipropylnitrosamine; DPN; DPNA; NDPA; Nitrosodipropylamine; nitrous dipropylamide; N-Nitroso di-n-propylamine; N-Nitrosodi-N-propylamine; N-nitroso-N-dipropylamine; N-Nitroso-N|||-propyl-1-propanamine.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2",1,"Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"Alkyl and aryl N-nitroso groups",1,"Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor",1]
["55556-92-8","nitroso-1,2,3,6-tetrahydropyridine;n-nitroso-1,2,3,6-tetrahydropyridine;pyridine, 1,2,3,6-tetrahydro-1-nitroso-;1-nitroso-1,2,3,6-tetrahydropyridine","C1=CCCN(N=O)C1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","1,2,3,6-tetrahydro-1-nitroso-pyridine.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2",1,"Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"Alkyl and aryl N-nitroso groups",1,"Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor",1]
["60599-38-4","n-nitrosobis(2-oxopropyl)amine;dipropylamine, 2,2'-dioxo-n-nitroso-;1,1'-(nitrosoimino)dipropan-2-one;2-propanone, 1,1'-(nitrosoimino)bis- (9ci)","C(C)(=O)CN(CC(C)=O)N=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB & Toxnet","-","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2",1,"Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"Alkyl and aryl N-nitroso groups",1,"Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor",1]
["55-18-5","n-nitrosodiethylamine;n,n-diethylnitrosamine;n-nitrosodiethylamine [diethyl nitrosamine];diethylnitrosoamine;ethanamine, n-ethyl-n-nitroso-;diethylnitrosamine;n-ethyl-n-nitrosoethanamine;55-18-5","C(C)N(CC)N=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","Diethylnitrosamide; Diethylnitrosamine; Diethylnitrosoamine; dana; DEN; DENA; ethylamine, N-Nitrosdi; NDEA; N-Ethyl-N-nitroso-ethanamine; Nitrosodiethylamine; nitrous diethylamide; N,N-Diethylnitrosam|||ine; N-nitroso-N,N-diethylamine.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2",1,"Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"Alkyl and aryl N-nitroso groups",1,"Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor",1]
["1116-54-7","diethanolamine;n-nitrosodiethanolamine;2,2'-(nitrosoimino)bisethanol;ethanol, 2,2'-(nitrosoimino)bis-;ethanol, 2,2'-nitrosiminodi-;nitrosodipropylamine;2,2'-(nitrosoimino)diethanol;nitrosaminese.g.dimethylnitrosoamine;2,2'nitrosoimino)bisethanol;2,2'-nitrosiminodiethanol;n-nitrosodiethylanolamine;1116-54-7;<i>n</i>-nitroso","C(O)CN(CCO)N=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","2,2'-dihydroxy-N-nitrosodiethylamine; 2,2'-iminodi(N-nitrosoethanol); 2,2'-nitrosiminodiethanol; 2,2-(Nitrosoimino) bisethanol; 2,2'-(nitrosoimino)bisethanol; bis(beta-Hydroxyethyl)nitrosamine; Dietha|||nolnitrosamine; diethanolnitrosoamine; Ndela; Nitros","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2",1,"Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"Alkyl and aryl N-nitroso groups",1,"Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor",1]
["53609-64-6","n-nitrosobis(2-hydroxypropyl)amine;diisopropanolnitrosamine;1,1'-(nitrosoimino)bis-2-propanol;1,1'-(nitrosoimino)dipropan-2-ol","C(C)(O)CN(CC(C)O)N=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB & Toxnet","DIISOPROPANOLNITROSAMINE.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2",1,"Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"Alkyl and aryl N-nitroso groups",1,"Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor",1]
["765-34-4","glycidaldehyde;glycidylaldehyde;2,3-epoxypropionaldehyde;oxirane-2-carbaldehyde","C(=O)C1CO1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","IARC","Glycidal; Epihydrinaldehyde; Epoxypropanal; Formyloxiran; Oxiranecarboxaldehyde.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Schiff base formers|Schiff base formers >> Direct Acting Schiff Base Formers|Schiff base formers >> Direct Acting Schiff Base Formers >> Mono aldehydes|SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides",1,"Epoxides and aziridines (Genotox)|Simple aldehyde (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Epoxides and aziridines|Simple aldehyde",1,"Epoxides and aziridines|H-acceptor-path3-H-acceptor|Simple aldehyde",1]
["96-24-2","alpha-chlorohydrin;3-chloropropane-1,2-diol;glycerol alpha-monochlorohydrin;3-chloro-1,2-propanediol;1,2-propanediol, 3-chloro-;3-chloro-1,2-propylene glycol","C(O)(CO)CCl","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","alpha-Chlorohydrin; Epibloc; Monochlorohydrin.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Elimination (E2)|Elimination (E2) >> E2 elimination reaction with epoxide formation|Elimination (E2) >> E2 elimination reaction with epoxide formation >> Haloalcohols|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Haloalcohols",1,"SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides",1,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Elimination (E2)|Elimination (E2) >> E2 elimination reaction with epoxide formation|Elimination (E2) >> E2 elimination reaction with epoxide formation >> Haloalcohols|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Haloalcohols",1,"Aliphatic halogens",1,"Aliphatic halogen|H-acceptor-path3-H-acceptor",1]
["18774-85-1","n-hexylnitrosourea;urea, 1-hexyl-1-nitroso-;1-hexyl-1-nitrosourea","C(N)(=O)N(CCCCCC)N=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","1-Hexyl-1-nitrosourea","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2",1,"Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"Alkyl and aryl N-nitroso groups",1,"Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor",1]
["33389-36-5","4-(2-hydroxyethylamino)-2-(5-nitro-2-thienyl)quinazoline;quinazoline, 4-(2-hydroxyethylamino)-2-(5-nitro-2-thienyl)-;2-{[2-(5-nitro-2-thienyl)quinazolin-4-yl]amino}ethanol","c1(C2=CC=C(N(=O)=O)S2)nc(NCCO)c2c(cccc2)n1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","2-(2-(5-Nitro-2-thienyl)-4-quinazolinyl)aminoethanol","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Unsaturated heterocyclic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["26049-70-7","2-hydrazino-4-(4-nitrophenyl)thiazole;2-hydrazino-4-(p-nitrophenyl) thiazole;2-hydrazino-4-(p-nitrophenyl)thiazole;2-hydrazino-4-(4-nitrophenyl)-1,3-thiazole;thiazole, 2-hydrazino-4-(p-nitrophenyl)-","C1(c2ccc(N(=O)=O)cc2)=CSC(NN)=N1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","-","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Nucleophilic addition|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization >> Hydrazine Derivatives|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Hydrazine Derivatives|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Hydrazine|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Hydrazine (Genotox)|Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Nucleophilic addition|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization >> Hydrazine Derivatives|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Hydrazine Derivatives",1,"Hydrazine|Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Hydrazine|Nitro-aromatic",1]
["55557-00-1","dinitrosohomopiperazine;1h-1,4-diazepine, hexahydro-1,4-dinitroso-;1,4-dinitroso-1,4-diazepane","C1CCN(N=O)CCN1N=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","hexahydro-1,4-dinitroso-1,4-Diazepine.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2",1,"Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"Alkyl and aryl N-nitroso groups",1,"Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor",1]
["13256-06-9","n,n-dipentylnitrosamine;dipentylnitrosamine;n-nitrosodiamylamine;n-nitroso-n-pentyl-1-pentanamine;n-nitroso-n-pentylpentan-1-amine;n-nitroso-diamylamine;1-pentanamine, n-nitroso-n-pentyl- (9ci);13256-06-9","C(CCCC)N(CCCCC)N=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","di-n-pentylnitrosamine; di-n-amylnitrosoamine; NDAmA; Nitrosodiamylamine; N-nitrosodi-n-pentylamine; N-Nitrosodiamylamine.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2",1,"Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"Alkyl and aryl N-nitroso groups",1,"Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor",1]
["50-00-0","formaldehyde;formaldehyde [bsi:iso];methanal;formalin;formaldehyde (act. 37%);formaldehyde/isopropanol incubator fumigant;formaldehyde surflo formulation;formaldehyde mixture(surf flo b17);formaldehyde (surflo b315)","C=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","BFV; fannoform; superlysoform; Veracur; Formaldehyde, solution, flammable; Formaldehyde, solutions (Formalin) (corrosive); Formalin; formalin 40; formalith; Formic aldehyde; Formol; FYDE; HCHO; HOCH; |||karsan; lysoform; Melamine-Formaldehyde Resin; Metha","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"No alert found",0,"Schiff base formers|Schiff base formers >> Direct Acting Schiff Base Formers|Schiff base formers >> Direct Acting Schiff Base Formers >> Mono aldehydes",1,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0]
["759-73-9","n-ethyl-n-nitrosourea;1-ethyl-1-nitrosourea;n-nitroso-n-ethylurea [n-ethyl-n-nitrosourea (enu)] [1-ethyl-1-nitrosoruea];n-ethyl-n-nitrosourea (enu);urea, n-ethyl-n-nitroso-;nitrosoethyl urea;urea, 1-ethyl-1-nitroso-;759-73-9","C(N)(=O)N(CC)N=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","1-Ethyl-1-Nitrosourea, Stabilized With Dilute Acetic Acid Soln. - Carc.; ENU; Ethylnitrosourea; N-ethylnitrosourea; N-ethyl-N-nitrosocarbamide; N-Ethyl-N-Nitroso-Urea; NEU; nitrosoethylurea; N-Nitroso|||-N-Ethylurea.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2",1,"Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"Alkyl and aryl N-nitroso groups",1,"Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor",1]
["38434-77-4","ethylnitrosocyanamide;ethyl(nitroso)cyanamide;ethanecarbamonitrile, nitroso-","C(#N)N(CC)N=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","Nitrosoethanecarbamonitrile.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2",1,"Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"Alkyl and aryl N-nitroso groups",1,"Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor",1]
["106-87-6","1-epoxyethyl-3,4-epoxycyclohexane;7-oxabicyclo[4.1.0]heptane, 3-(2-oxiranyl)-;1-ethyleneoxy-3,4-epoxycyclohexane;7-oxabicyclo 4.1.0 heptane, 3-oxiranyl-;7-oxa-3-oxiranylbicyclo[4.1.0]heptane;7-oxabicyclo[4.1.0]heptane, 3-oxiranyl-;7-oxabicycloХ4.1.0еheptane, 3-(epoxyethyl)-;7-oxabicycloХ4.1.0еheptane, 3-oxiranyl-;3-(oxiran-2-yl)-7-oxabicyclo[4.1.0]heptane;4-vinylcyclohexene diepoxide;3-oxiran-2-yl-7-oxabicyclo[4.1.0]heptane;7-oxabicyclo(4.1.0)heptane, 3-(epoxyethyl)-;106-87-6","C1(C2CC3C(CC2)O3)CO1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP362","1,2-Epoxy-4-(epoxyethyl)cyclohexane; 1-Ethyleneoxy-3,4-epoxycyclohexane; 1-vinyl-3-cyclohexene dioxide; 3-(1,2-epoxyethyl)-7-oxabicyclo[4.1.0]heptane; 3-oxiranyl-7-oxabicyclo[4.1.0]heptane; 4-(1,2-epo|||xyethyl)-7-oxabicyclo[4.1.0]heptane; 4-(epoxyethyl)-","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides",1,"Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Epoxides and aziridines",1,"Epoxides and aziridines",1]
["101-14-4","benzenamine, 4,4'-methylenebis[2-chloro-;3,3'-dichloro-4,4'-diaminodiphenylmethane;4,4'-methylenebis(2-chloroaniline);4,4'-methylene-bis(2-chloroaniline);benzenamine, 4,4-methylenebis[2-chloro-;4,4'-methylenebis(2-chlorobenzenamine);4,4'-methylenebis[2-chloroaniline];benzenamine, 4,4’-methylenebis[2-chloro-;benzenamine, 4,4'-methylenebis 2-chloro-;aniline, 4,4'-methylenebisХ2-chloro-;benzenamine, 4,4'-methylenebisХ2-chloro-;methylenebis(chloroaniline);4,4´-methylenebis(2-chloroaniline);3,3''-dichloro-4,4''-diaminodiphenylmethane;aniline, 4,4'-methylenebis(2-chloro- (8ci);101-14-4","c1(N)c(Cl)cc(Cc2cc(Cl)c(N)cc2)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","2,2'Dichloro-4,4'-methylene dianiline; 3,3'-Dichloro-4,4'-diaminodiphenyl methane; 4,4'-diamino-3,3'-dichlorodiphenylmethane; 4,4-Methylene bis(2-chloroaniline); 4,4'-Methylenebis-(2-Chlorobenzenamine|||); p,p'-methylenebis(alpha-chloroaniline); di(4-amin","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"Primary aromatic amine, hydroxyl amine and its derived esters",1]
["56-49-5","3-methylcholanthrene;3-methylcholanthrene (mca);benz[j]aceanthrylene, 1,2-dihydro-3-methyl-;3-methyl-1,2-dihydrocyclopenta[ij]tetraphene;1,2-dihydro-3-methylbenz[j]aceanthrylene;benz(j)aceanthrylene, 1,2-dihydro-3-methyl-","c12c(c3c(c4c5c(c(C)ccc5c3)CC4)cc1)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","1,2-dihydro-3-methylbenz[j]aceanthrylene; 20-MC; 20-methylcholanthrene; 3-MC; 3-MCA; 3-MECA; MC; Methylcholanthrene.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",{"$f":"IF(X322=\"No alert found\",0,1)","v":1},"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1",{"$f":"IF(Z322=\"No alert found\",0,1)","v":1},"Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",{"$f":"IF(AB322=\"No alert found\",0,1)","v":1},"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",{"$f":"IF(AD322=\"No alert found\",0,1)","v":1},"Polycyclic Aromatic Hydrocarbons",{"$f":"IF(AF322=\"No alert found\",0,1)","v":1},"Polycyclic Aromatic Hydrocarbons",{"$f":"IF(AH322=\"No alert found\",0,1)","v":1}]
["63412-06-6","n-methyl-n-nitrosobenzamide;benzamide, n-methyl-n-nitroso-","C(=O)(c1ccccc1)N(C)N=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","-","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2",1,"Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"Alkyl and aryl N-nitroso groups",1,"Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor",1]
["838-88-0","4,4'-methylenebis(2-methylaniline);4,4'-methylene-bis(2-methylaniline);4,4'-methylenedi-o-toluidine;4,4'-methylene di-o-toluidine;o-toluidine, 4,4'-methylenedi-;benzenamine, 4,4'-methylenebisÕ2-methyl-\"\"\";benzenamine, 4,4'-methylenebis[2-methyl-;benzenamine, 4,4'-methylenebisХ2-methyl-;4,4?methylenediotoluidine;4,4'-methanediylbis(2-methylaniline);o-toluidine, 4,4'-methylenedi- (8ci)","c1(N)c(C)cc(Cc2cc(C)c(N)cc2)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","3,3'-Dimethyl-4,4'-diaminodiphenylmethane.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"Primary aromatic amine, hydroxyl amine and its derived esters",1]
["611-32-5","8-methylquinoline;8-methyl-quinoline;quinoline, 8-methyl-","c1(C)c2c(cccn2)ccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB & Toxnet","O-Toluquinoline","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0]
["50-07-7","mitomycin-c;mitomycin c;mitomycin;azirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione, 6-amino-8-[[(aminocarbonyl)oxy]methyl]-1,1a,2,8,8a,8b-hexahydro-8a-methoxy-5-methyl-, (1as,8s,8ar,8bs)-;[(1as,8s,8ar,8bs)-6-amino-8a-methoxy-5-methyl-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-8-yl]methyl carbamate;azirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione, 6-amino-8-[[(aminocarbonyl)oxy]methyl]-1,1a,2,8,8a,8b-hexahydro-8a-methoxy-5-methyl-, [1as-(1a.alpha.,8.beta.,8a.alpha.,8b.alpha.)]-;[1ar-(1a alpha, 8 beta, 8a alpha, 8b alpha])-6-amino-8-[[(aminocarbonyl)oxy]methyl]-1,1a, 2,8,8a,8b-hexahydro-8a-methoxy-5-methylazirinol[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione;azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, 6-amino-8-(((aminocarbonyl)oxy)methyl)-1,1a,2,8,8a,8b-hexahydro-8a-methoxy-5-methyl-, (1as,8s,8ar,8bs)-;50-07-7","C12C(=O)C(C)=C(N)C(=O)C=1C(COC(N)=O)C1(OC)C3C(CN21)N3","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","N/A","YES","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","[1aR-(1aalpha,8beta,8aalpha,8balpha)]-6-amino-8-[[(aminocarbonyl)oxy]methyl]-1,1a,2,8,8a,8b-hexahydro-8a-methoxy-5-methylazirino[2',3':3,4]pyrrolo[1,2-alpha]indole-4,7-dione; (1ar)-6-amino-8-(((aminoc|||arbonyl)oxy)methyl)-1,1a,2,8,8a,8b-hexahydro-8a-meth","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines|SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Aziridines",1,"Alkyl carbamate and thiocarbamate (Genotox)|Epoxides and aziridines (Genotox)|Quinones (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones|SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Alkyl carbamate and thiocarbamate|Epoxides and aziridines|Quinones",1,"Alkyl carbamate and thiocarbamate|Epoxides and aziridines|H-acceptor-path3-H-acceptor|Quinones",1]
["64091-91-4","4-(n-methyl-n-nitrosamino)-1-(3-pyridyl)-1-butanone;4-(methylnitrosamino)-1-(3-pyridyl)-1-(butanone);nnk;nnk (carcinogen);4-(n-nitroso-n-methylamino)-1-(3-pyridyl)-1-butanone;ketone, 3-pyridyl 3-(n-methyl-n-nitrosamino)propyl;4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone;4-[methyl(nitroso)amino]-1-pyridin-3-ylbutan-1-one","C(=O)(c1cccnc1)CCCN(C)N=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP440","3-(N-methyl-N-nitrosamino)propyl 3-pyridyl ketone; 4-(Methyl-nitrosamino)-1-(3-Pyridyl)-1-butanone; 4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone; 4-(nitrosoamino-N-methyl)-1-(3-pyridyl)-1-butanon|||e; 4-(N-Methyl-N-nitrosamino)-1-(3-pyridyl)-1-butano","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2",1,"Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"Alkyl and aryl N-nitroso groups",1,"Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor",1]
["91-62-3","6-methylquinoline;6-methyl-quinoline;quinoline, 6-methyl-;91-62-3","c12c(cc(C)cc1)cccn2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","p-Toluquinoline","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0]
["33868-17-6","methylnitrosocyanamide;methyl(nitroso)cyanamide;cyanamide, methylnitroso-","C(#N)N(C)N=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","-","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2",1,"Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"Alkyl and aryl N-nitroso groups",1,"Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor",1]
["21638-36-8","4-methyl-1-((5-nitrofurfurylidene)amino)-2-imidazolidinone;4-methyl-1-[(5-nitrofurfurylidene)amino]-2-imidazolidinone;4-methyl-1-{[(1e)-(5-nitrofuran-2-yl)methylidene]amino}imidazolidin-2-one;2-imidazolidinone, 4-methyl-1-(((5-nitro-2-furanyl)methylene)amino)-","C1(C=NN2C(=O)NC(C)C2)=CC=C(N(=O)=O)O1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","N/A","YES","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","-","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Unsaturated heterocyclic nitro",1,"Hydrazine (Genotox)|Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Hydrazine|Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Hydrazine|Nitro-aromatic",1]
["57-39-6","metepa;tris(2-methylaziridin-1-yl)phosphine oxide;aziridine, 1,1’,1’’-phosphinylidynetris[2-methyl-;aziridine, 1,1',1''-phosphinylidynetris[2-methyl-;1,1',1''-phosphoryltris(2-methylaziridine);aziridine, 1,1',1''-phosphinylidynetris 2-methyl-;phosphine oxide, tris(2-methyl-1-aziridinyl)-;aziridine, 1,1',1''-phosphinylidynetris(2-methyl-;1,1',1''-phosphinylidynetris[2-methyl]aziridine;apo;57-39-6","C1(C)CN1P(=O)(N1C(C)C1)N1C(C)C1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","Tris[1-(2-Methyl)aziridinyl]ph Osphine Oxide, 92%- Carc.; Tris(2-Methyl-1-aziridinyl)phosphine Oxide; Tris[2-methylaziridinyl]phosphine oxide; Tris (1-methylethylene) phosphoric triamide.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Aziridines",1,"Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Epoxides and aziridines",1,"Epoxides and aziridines|H-acceptor-path3-H-acceptor",1]
["50-44-2","6-mercaptopurine;6h-purine-6-thione, 1,7-dihydro- (9ci)","c1(S)c2c(N=CN2)ncn1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","1,7-dihydro-6H-purine-6-thione; 3H-Purine-6-thiol; 6 MP; 6-Purinethiol; 6-Thioxopurine; 7-Mercapto-1,3,4,6-tetrazaindene; Hypoxanthine, thio-; Ismipur; Leukeran; Leukerin; Leukerin, 99% - Carc.; Leupu||in; Mercaleukim; Mercaleukin; Mercaptopurine; Mercapu","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Generation of reactive oxygen species|Radical >> Generation of reactive oxygen species >> Thiols",1,"No alert found",0,"Imidazole, benzimidazole (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["303-34-4","lasiocarpine;(1s,7ar)-7-[({(2s)-2,3-dihydroxy-2-[(1s)-1-methoxyethyl]-3-methylbutanoyl}oxy)methyl]-2,3,5,7a-tetrahydro-1h-pyrrolizin-1-yl (2z)-2-methylbut-2-enoate;2-butenoic acid, 2-methyl-, 7-((2,3-dihydroxy-2-(1-methoxyethyl)-3-methyl-1-oxobutoxy)methyl)-2,3,5,7a-tetrahydro-1h-pyrrolizin-1-yl ester, (1s-(1alpha(z),7(2s*,3r*),7a alpha))-","C(=O)(C(O)(C(C)(C)O)C(C)OC)OCC1C2C(OC(=O)C(C)=CC)CCN2CC=1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP39","2,3,5,7alphabeta-tetrahydro-1-hydroxy-1H-pyrrolizine-7-methanol-1-angelate-7-(2,3-dihydroxy)-2- (1-methoxyethyl)-3-methylbutyrate; 2-methyl-2-Butenoic acid, [1S-[1alpha(Z),7(2S*,3R*),7alpha]]-7-[[2,3-|||dihydroxy-2-(1-methoxyethyl)-3-methyl-1-oxobutoxy]me","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"No alert found",0,"Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated esters|SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"Pyrrolizidine alkaloids (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity|Substituted n-alkylcarboxylic acids (Nongenotox)",1,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["55-80-1","3'-methyl-4-(dimethylamino)azobenzene;dimethyl-(4-m-tolylazo-phenyl)-amine;3'-methyl-4-dimethylaminoazobenzene;4-dimethylamino-3'-methylazobenzene;aniline, n,n-dimethyl-p-(m-tolylazo)-;n,n-dimethyl-4-(m-tolylazo)aniline;benzenamine, n,n-dimethyl-4- (3-methylphenyl)azo -;benzenamine, n,n-dimethyl-4-((3-methylphenyl)azo)-\"\"\";benzenamine, n,n-dimethyl-4-[(3-methylphenyl)azo]-;n,n-dimethyl-4-[(3-methylphenyl)diazenyl]aniline;n,n-dimethyl-4-[(e)-(3-methylphenyl)diazenyl]aniline;benzenamine, n,n-dimethyl-4-((3-methylphenyl)azo)-;55-80-1","c1(N=Nc2ccc(N(C)C)cc2)cc(C)ccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","N/A","YES","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","MDAB; 3'-Methyl-dab","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"No alert found",0,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic azo|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine",1,"Aromatic diazo (Genotox)|Aromatic mono-and dialkylamine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aromatic diazo|Aromatic mono-and dialkylamine",1,"Aromatic diazo|Aromatic mono- and dialkylamine|H-acceptor-path3-H-acceptor",1]
["70-25-7","n-methyl-n'-nitro-n-nitrosoguanidine;n-nitroso-n-methyl-n'-nitroguanidine;n-nitroso-n-methylnitroguanidine [n-methyl-n’-nitro-n-nitrosoguanidinen (mnng)];1-methyl-3-nitro-1-nitrosoguanidine;guanidine, n-methyl-n'-nitro-n-nitroso-;1methyl3nitro1nitrosoguanidine;methylnitronitrosoguanidine;70-25-7","C(=N)(N(C)N=O)NN(=O)=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB & NTP441","1-methyl-1-nitroso-N-methylguanidine; 1-methyl-3-nitro-1-nitrosoguanidine; 1-nitro-N-nitroso-N-methylguanidine; methylnitronitrosoguanidine; Methyl-N'-nitro-N-nitrosoguanidine; MNG; MNNG; N-methyl-N-n|||itroso-N'-nitroguanidine; N-Methyl-N-Nitroso-N'-Nitr","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2",1,"Aliphatic N-nitro group (Genotox)|Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"Aliphatic N-nitro group|Alkyl and aryl N-nitroso groups",1,"Aliphatic N-nitro group|Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor",1]
["74-83-9","methyl bromide;methane, bromo-;bromomethane;methane, bromo-\"\"\";methyl bromide [bsi:iso];bromomethane(methyl bromide iso);methane, bromo-\";74-83-9","CBr","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP385 & CPDB","Metafume; Brom-O-Gas; Brom-O-Gaz; Brom-O-Sol; bromomethane; Bromomethane; Celfume; curafume; Dowfume; dowfume mc-2; dowfume mc-33; EDCO; embafume; Halon 1001; haltox; iscobrome; Kayafume; MB; MBX; MeB||; Meth-O-Gas; methogas; monobromomethane; profume; Ro","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Monohaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Monohaloalkanes|SN2 >> Ring opening SN2 reaction|SN2 >> Ring opening SN2 reaction >> Monohaloalkanes",1,"SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides",1,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Monohaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Monohaloalkanes|SN2 >> Ring opening SN2 reaction|SN2 >> Ring opening SN2 reaction >> Monohaloalkanes",1,"Aliphatic halogens",1,"Aliphatic halogen",1]
["60-34-4","methylhydrazine;methyl-hydrazine;methyl hydrazine;n-aminomethylamine (methyl hydrazine);hydrazine, methyl-;monomethylhydrazine;60-34-4","CNN","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","1-Methyl-Hydrazine; hydrazomethane; Methylhydrazine(mono); MMH; Monomethyl Hydrazine.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Nucleophilic addition|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization >> Hydrazine Derivatives|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Hydrazine Derivatives",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Hydrazine",1,"Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Nucleophilic addition|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization >> Hydrazine Derivatives|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Hydrazine Derivatives",1,"Hydrazine",1,"H-acceptor-path3-H-acceptor|Hydrazine",1]
["592-62-1","methylazoxymethanol acetate;(methyl-onn-azoxy)methyl acetate;[(e)-methyl-onn-azoxy]methyl acetate;(methylonnazoxy)methylacetate;(methyl-onn-azoxy)methanol, acetate(ester);methanol, (methyl-onn-azoxy)-, acetate (ester)","C(C)(=O)OCN=N(C)=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","Toxnet","Cycasin acetate; MAM AC; mam acetate; Methylazoxymethyl acetate; (methyl-ONN-azoxy)methanol, acetate ester.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Specific Acetate Esters|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Specific Acetate Esters|SN2|SN2 >> Acylating agents|SN2 >> Acylating agents >> Specific Acetate Esters|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Specific Acetate Esters",1,"No alert found",0,"Aliphatic azo and azoxy (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aliphatic azo and azoxy",1,"Aliphatic azo and azoxy|H-acceptor-path3-H-acceptor",1]
["494-03-1","n,n-bis(2-chloroethyl)-2-naphthylamine;chlornaphazine;chloronaphazine;n,n-bis(2-chloroethyl)naphthalen-2-amine;2-naphthalenamine, n,n-bis(2-chloroethyl)- (9ci)","c12c(cc(N(CCCl)CCCl)cc1)cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","Toxnet","2-bis(2-chloroethyl)aminonaphthalene; 2-naphthylamine mustard; 2-naphthylbis(2-chloroethyl)amine; Chlornapazine; bis(2-chloroethyl)-2-naphthylamine; bis(2-chloroethyl)-beta-naphthylamine; dichloroethy|||l-beta-naphthylamine; beta-naphthyl-di-(2-chloroethy","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Nitrogen Mustards",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine|SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> Mustards",1,"S or N mustard (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"S or N mustard",1,"S or N mustard",1]
["77094-11-2","2-amino-3,4-dimethyl-3h-imidazo[4,5-f]quinoline;meiq;2-amino-3,4-dimethylimidazo(4,5-f)quinoline;3,4-dimethyl-3h-imidazo[4,5-f]quinolin-2-amine;3h-imidazo(4,5-f)quinoline, 2-amino-3,4-dimethyl-;2-amino-3,4-dimethylimidazo[4,5-<i>f</i>]quinoline","c12c(c3c(c(C)c1)N(C)C(N)=N3)cccn2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","2-Amino-3,4-dimethyl-3H-imidazo[4,5-f]quinoline; 2-Amino-3,4-dimethylimidazo[4,5-f]quinoline; 3,4-dimethyl-3H-imidazo[4,5-f]quinolin-2-amine; methyl-IQ.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary (unsaturated) heterocyclic amine",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Imidazole, benzimidazole (Nongenotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons",1,"H-acceptor-path3-H-acceptor|Heterocyclic Polycyclic Aromatic Hydrocarbons",1]
["105650-23-5","2-amino-1-methyl-6-phenylimidazo[4,5-b]pyridine (phip);phip.hcl;2-amino-1methyl-6-phenylimidazo [4,5-b]pyridine (phip);1h-imidazo(4,5-b)pyridin-2-amine, 1-methyl-6-phenyl- (9ci)","c1(-c2cc3c(N=C(N)N3C)nc2)ccccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB",null,"Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"No alert found",0,"Imidazole, benzimidazole (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["77500-04-0","2-amino-3,8-dimethyl-3h-imidazo[4,5-f]quinoxaline;meiqx;8-methyl-iqx;3,8-dimethyl-3h-imidazo[4,5-f]quinoxalin-2-amine;3h-imidazo(4,5-f)quinoxaline, 2-amino-3,8-dimethyl-","c12c(c3c(cc1)N(C)C(N)=N3)nc(C)cn2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","2-amino-3,8-dimethylimidazo(4,5-f)quinoxaline","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary (unsaturated) heterocyclic amine",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Imidazole, benzimidazole (Nongenotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons",1,"H-acceptor-path3-H-acceptor|Heterocyclic Polycyclic Aromatic Hydrocarbons",1]
["540-73-8","1,2-dimethylhydrazine dihydrochloride;1,2-dimethylhydrazine;hydrazine, 1,2-dimethyl-;540-73-8","CNNC","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","Moderate Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","1,1'-Dimethylhydrazine Dihydrochloride; 1,2-dimethylhydrazinium dichloride; dimethylhydrazine dihydrochloride; dimethylhydrazinium dichloride; DMH; N,N'-dimethylhydrazine dihydrochloride; N,N'-Dimethy|||lhydrazinium dichloride; sym-Dimethylhydrazine dihyd","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011","306-37-6","No alert found",0,"No alert found",0,"Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Hydrazine",1,"H-acceptor-path3-H-acceptor|Hydrazine",1]
["51-71-8","phenethyl-hydrazine;phenylethylhydrazine sulfate;phenelzine;hydrazine, (2-phenylethyl)-;(2-phenylethyl)hydrazine","c1(CCNN)ccccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB & Toxnet","Phenelzine sulfate","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011","156-51-4","Nucleophilic addition|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization >> Hydrazine Derivatives|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Hydrazine Derivatives",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes|SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Hydrazine",1,"Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Nucleophilic addition|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization >> Hydrazine Derivatives|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Hydrazine Derivatives",1,"Hydrazine",1,"H-acceptor-path3-H-acceptor|Hydrazine",1]
["23214-92-8","doxorubicin;(8s,10s)-10-((2r,4s,5s,6s)-4-amino-5-hydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-6,8,11-trihydroxy-8-(2-hydroxy-acetyl)-1-methoxy-7,8,9,10-tetrahydro-naphthacene-5,12-dione;adriamycin;5,12-naphthacenedione, 10-[(3-amino-2,3,6-trideoxy-à-l-l*y*xo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, (8s-cis)-;5,12-naphthacenedione, 10-[(3-amino-2,3,6-trideoxy-?-l-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, (8s-cis)-;(1s,3s)-3,5,12-trihydroxy-3-(hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-alpha-l-lyxo-hexopyranoside;(8s-cis)-10-[(3-amino-2,3,6-trideoxy-alpha-l-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-5,12-naphthacenedione;(1s,3s)-3,5,12-trihydroxy-3-(hydroxyacetyl)-10-(methyloxy)-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-alpha-l-lyxo-hexopyranoside;5,12-naphthacenedione, 10-((3-amino-2,3,6-trideoxy-alpha-l-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, (8s-cis)-","c12C(=O)c3c(C(=O)c1c(O)c1c(c2O)C(OC2CC(N)C(O)C(C)O2)CC(O)(C(=O)CO)C1)cccc3OC","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","N/A","YES","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","Toxnet","10-((3-Amino-2,3,6-trideoxy-alpha-L-lyso-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-5,12-naphthacenedione; 14-Hydroxydaunomycin; (8S-cis)-10-(3-Amino-2,3,6-Tr|||ideoxy-alpha-L-Lyxo-Hexopyranosyl)Oxy-7,8,9,10-Tetra","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Alkyl phenols",1,"Quinones (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones",1,"Quinones",1,"H-acceptor-path3-H-acceptor|Quinones",1]
["823-40-5","2,6-diaminotoluene;2,6-toluenediamine dihydrochloride;2-methyl-m-phenylenediamine;1,3-benzenediamine, 2-methyl-;toluene-2,6-diamine;2-methylbenzene-1,3-diamine;2methylmphenylenediamine(toluene2,6diamine);1,3-diamino-2-methylbenzene","c1(N)c(C)c(N)ccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP200","2,6-Diaminotoluene dihydrochloride; toluene-2,6-diamine, dihydrochloride.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011","15481-70-6","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"Primary aromatic amine, hydroxyl amine and its derived esters",1]
["56-57-5","4-nitroquinoline 1-oxide;4-nitroquinoline-n-oxide;4-nitroquinoline oxide;4-nitroquinoline-1-oxide;4-nitroquinoline n-oxide;4-nitroquinoline, 1-oxide;quinoline, 4-nitro-, 1-oxide","c1(N(=O)=O)c2c(cccc2)n(=O)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","Toxnet","4-Nitroquinoline 1-oxide; 4-nitroquinoline oxide; 4-NQO; nitrochin.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Aromatic ring N-oxide (Genotox)|Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aromatic ring N-oxide|Nitro-aromatic",1,"Aromatic ring N-oxide|Nitro-aromatic",1]
["127-00-4","1-chloro-2-propanol;1-chloro-2-propanol, technical grade (~75% 1-chloro-2-propanol;~25% 2-chloro-1-propanol);1-chloro-2-propanol, technical;1-chloropropan-2-ol;2-propanol, 1-chloro-","C(C)(O)CCl","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP477","1-chloro-2-hydroxypropane; 1-Chloro-2-propanol, remainder 2-chloro-1-propanol; 1-chloroisopropyl alcohol; alpha-propylene chlorohydrin; propylene chlorohydrin; sec-propylene chlorohydrin.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Elimination (E2)|Elimination (E2) >> E2 elimination reaction with epoxide formation|Elimination (E2) >> E2 elimination reaction with epoxide formation >> Haloalcohols|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Haloalcohols",1,"SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides",1,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Elimination (E2)|Elimination (E2) >> E2 elimination reaction with epoxide formation|Elimination (E2) >> E2 elimination reaction with epoxide formation >> Haloalcohols|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Haloalcohols",1,"Aliphatic halogens",1,"Aliphatic halogen",1]
["64-67-5","diethyl sulfate;diethyl sulphate;sulfuric acid, diethyl ester;diethylsulphate;sulfuric acid diethyl ester;64-67-5","C(C)OS(=O)(=O)OCC","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","Toxnet","Diethyl Monosulfate; DS; ethyl sulfate; sulfuric acid, diethyl ester.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Sulfonates and Sulfates",1,"SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Sulfates",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Sulfonates and Sulfates",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid|H-acceptor-path3-H-acceptor",1]
["62-50-0","ethyl methanesulfonate;methanesulfonic acid;ethyl methanesulphonate;methanesulfonic acid, ethyl ester;ethyl methanesulfonate (ems);et ester","C(C)OS(C)(=O)=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","Toxnet","EMS; ethyl ester of methanesulfonic acid; ethyl ester of methylsulfonic acid; Ethyl mesylate; half-myleran; Methanesulfonic acid ethyl ester; methylsulfonic acid, ethyl ester.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Sulfonates and Sulfates",1,"SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Sulfonates",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Sulfonates and Sulfates",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid|H-acceptor-path3-H-acceptor",1]
["13171-21-6","phosphamidon;(2z)-3-chloro-4-(diethylamino)-4-oxobut-2-en-2-yl dimethyl phosphate;phosphoric acid, 2-chloro-3-(diethylamino)-1-methyl-3-oxo-1-propenyl dimethyl ester;phosphoric acid, dimethyl ester, ester with 2-chloro-n,n-diethyl-3-hydroxycrotonamide;13171-21-6","C(=O)(C(Cl)=C(C)OP(=O)(OC)OC)N(CC)CC","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP16","1-chloro-diethylcarbamoyl-1-propen-2-yl dimethyl phosphate; O,O-dimethyl-O-(2-chloro-2-(N,N-diethylcarbamoyl)-1-methylvinyl)phosphate; 2-Chloro-2-diethylcarbamoyl-1-methylvinyl dimethyl phosphate; 2-c|||hloro-2-diethyl carbamyl-1-methyl vinyl dimethyl-pho","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid (Genotox)|alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid|alpha,beta-unsaturated carbonyls",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid|alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor",1]
["119-93-7","[1,1'-biphenyl]-4,4'-diamine, 3,3'-dimethyl-;3,3'-dimethylbenzidine;3,3'-dimethylbenzidine dihydrochloride;3,3'-dimethyl-biphenyl-4,4'-diamine;bianisidine;[1,1-biphenyl]-4,4-diamine, 3,3-dimethyl-;tolidine;3,3'-tolidine;4,4'-diamino-3,3'-dimethylbiphenyl;4,4'-bi-o-toluidine;[1,1’-biphenyl]-4,4’-diamine, 3,3’-dimethyl-;3,3-dimethylbenzidine;orthotolidine;3,3'-dimethylbiphenyl-4,4'-diamine;4,4?biotoluidine(orthotolidine);3,3'-dimethyl-[1,1'-biphenyl]-4,4'-diamine;3,3''-dimethylbenzidine;o-tolidine;(1,1'-biphenyl)-4,4'-diamine, 3,3'-dimethyl-","c1(-c2cc(C)c(N)cc2)cc(C)c(N)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP390","o-Tolidine dihydrochloride; 3,3'-dimethyl-[1,1'-biphenyl]-4,4'-diamine, dihydrochloride.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011","612-82-8","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"Primary aromatic amine, hydroxyl amine and its derived esters",1]
["615-05-4","2,4-diaminoanisole;2,4 diaminoanisole;1,3-benzenediamine, 4-methoxy-;4-methoxy-m-phenylenediamine;4-methoxy-3-phenylenediamine;4-methoxybenzene-1,3-diamine;1methoxy2,4diaminobenzene(2,4diaminoanisoleci76050)anditssalts;m-phenylenediamine, 4-methoxy- (8ci);615-05-4","c1(OC)c(N)cc(N)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP84","2,4-Diaminoanisole, 90%; 2,4-DAA; 4-methoxy-1,3-Benzenediamine; 4-methoxy-m-phenylendiamine; 4 Methoxy meta phenylenediamine; 4-MMPD; C.I. 76050; C.I. Oxidation Base 12.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["129-00-0","pyrene;129-00-0","c12c3c4c(ccc3ccc1)cccc4cc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","Toxnet","Benzo[def]phenanthrene; beta-pyrene; Pyrene[def]phenanthrene.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"No alert found",0,"Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1]
["90-04-0","o-anisidine (2-methoxyaniline);o-anisidine;2-methoxy-phenylamine;benzenamine, 2-methoxy-;2-anisidine hydrochloride;2-methoxyaniline;2-methoxy-aniline;2-anisidine;oanisidine;2-methoxybenzeneamine;90-04-0","c1(OC)c(N)cccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP89","1-Amino-2-Methoxybenzene Hydrochloride; o-aminoanisole hydrochloride; o-anisylamine hydrochloride; 2-methoxy-1-aminobenzene hydrochloride; 2-Methoxybenzenamine, Hydrochloride; o-methoxyphenylamine hyd||ochloride; C.I. 37115; fast red bb base.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011","134-29-2","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["101-77-9","benzenamine, 4,4'-methylenebis-;4,4'-diaminodiphenylmethane;4,4'-methylenebis(aniline);4,4'-methylenedianiline dihydrochloride;di-(p-aminophenyl)methane;4,4'-methylenedianiline;benzenamine, 4,4 -methylenebis-;methylene dianiline;4,4'-methylene dianaline;4,4’-methylenedianiline;benzenamine, 4,4’-methylenebis-;aniline, 4,4'-methylenedi-;4,4?methylenedianiline;4,4´-methylenedianiline;4,4''-diaminodiphenylmethane;101-77-9","c1(N)ccc(Cc2ccc(N)cc2)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP248","4,4'-methylenebisbenzenamine dihydrochloride.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011","13552-44-8","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"Primary aromatic amine, hydroxyl amine and its derived esters",1]
["5160-02-1","benzenesulfonic acid, 5-chloro-2-[2-(2-hydroxy-1-naphthalenyl)diazenyl]-4-methyl-, barium salt (2:1);pigment red-53;d & c red no. 9;d&c red no. 9;d&c red 9;barium bis[2-chloro-5-[(2-hydroxy-1-naphthyl)azo]toluene-4-sulphonate];benzenesulfonic acid, 5-chloro-2-[(2-hydroxy-1-naphthalenyl)azo]-4-methyl-, barium salt (2:1);barium bis{5-chloro-2-[(2-hydroxynaphthalen-1-yl)diazenyl]-4-methylbenzenesulfonate};colouringagentci15585;c.i. pigment red 53:1;5-chloro-2-[(2-hydroxy-1-naphthalenyl)azo]-4-methylbenzene sulfonic acid, barium salt","c1(O)c(N=Nc2c(S(=O)(=O)O{-}.[Ba]{2+}.O{-}S(=O)(=O)c3c(N=Nc4c5c(ccc4O)cccc5)cc(C)c(Cl)c3)cc(Cl)c(C)c2)c2c(cccc2)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","N/A","YES","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP225","1-(4-chloro-o-sulfo-5-tolylazo)-2-naphthol, barium salt; 1860 red; cosmetic coral red ko bluish; cosmetic dvr; cosmetic pigment yellow red dvr; C Red No. 9; dainichi lake red c; d&c red 9; desert red;||| duplex red lake C20-5925; eljon lake red c; hamilto","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"No alert found",0,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic azo",1,"Benzenesulfonic ethers, methylation (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["6459-94-5","1,3-naphthalenedisulfonic acid, 8-[2-[3,3'-dimethyl-4'-[2-[4-[[(4-methylphenyl)sulfonyl]oxy]phenyl]diazenyl][1,1'-biphenyl]-4-yl]diazenyl]-7-hydroxy-, sodium salt (1:2);acid red-114;c.i. acid red 114;disodium 8-((3,3'-dimethyl-4'-(4-(4-methylphenylsulphonyloxy)phenylazo)(1,1'-biphenyl)-4-yl)azo)-7-hydroxynaphthalene-1,3-disulphonate;1,3-naphthalenedisulfonic acid, 8-[[3,3'-dimethyl-4'-[[4-[[(4-methylphenyl)sulfonyl]oxy]phenyl]azo][1,1'-biphenyl]-4-yl]azo]-7-hydroxy-, disodium salt;disodium 8-({3,3'-dimethyl-4'-[(4-{[(4-methylphenyl)sulfonyl]oxy}phenyl)diazenyl]biphenyl-4-yl}diazenyl)-7-hydroxynaphthalene-1,3-disulfonate","c1(-c2cc(C)c(N=Nc3c4c(S(=O)(=O)O{-}.[Na]{+})cc(S(=O)(=O)O{-}.[Na]{+})cc4ccc3O)cc2)cc(C)c(N=Nc2ccc(OS(=O)(=O)c3ccc(C)cc3)cc2)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","N/A","YES","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP405","8-[[3,3'-dimethyl-4'-[[4-[[(4-methylphenyl)sulfonyl]oxy]phenyl]azo][1,1'-biphenyl]-4-yl]azo]-7-hydroxy-1,3-Naphthalenedisulfonic acid, disodium salt; acid leather red bg; Acid Red 114; benzyl red br; |||C.I. 23635; C.I. Acid Red 114, disodium salt; eriony","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"No alert found",0,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic azo",1,"Aromatic diazo (Genotox)|Benzenesulfonic ethers, methylation (Nongenotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"No alert found",0,"Aromatic diazo",1,"Aromatic diazo|H-acceptor-path3-H-acceptor",1]
["95-54-5","1,2-phenylenediamine (2-aminoaniline);o-phenylenediamine;benzene-1,2-diamine;1,2-benzenediamine;o-phenylenediamine dihydrochloride;2-amino-aniline;1,2-diaminobenzene;ophenylenediamineanditssalts;1,2-diamino benzene;2-phenylene diamine","c1(N)c(N)cccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","1,2-Benzenediamine dihydrochloride; 1,2-Phenylenediamine Dihydrochloride.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011","615-28-1","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["492-80-8","auramine;4,4'-carbonimidoylbis[n,n-dimethylaniline];benzenamine, 4,4’-carbonimidoylbis[n,n-dimethyl-;benzenamine, 4,4'-carbonimidoylbis[n,n-dimethyl-;4,4'-carbonimidoylbis(n,n-dimethylaniline);4,4?carbonimidoylbis[n,ndimethylaniline] anditssalts;4,4'-carbonimidolybis-n,n-dimethylbenzenamine;auramine base;benzenamine, 4,4'-carbonimidoylbis(n,n-dimethyl-;492-80-8","c1(C(=N)c2ccc(N(C)C)cc2)ccc(N(C)C)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","4,4'-(Imidocarbonyl)bis(N,N-Dimethylaniline); Blauramine; Brilliant Oil yellow; Carbonoimidoylbis(N,N-dimethylbenzenamine); C.I. 41000B; C.I. Basic Yellow 2, Free Base; C.I. Solvent Yellow 34; Waxolin|||e yellow D; Yellow pyoctanine.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011","2465-27-2","No alert found",0,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine",1,"Aromatic mono-and dialkylamine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aromatic mono-and dialkylamine",1,"Aromatic mono- and dialkylamine",1]
["125-33-7","primidone;primaclone;hexamidine;primidone (primaclone);4,6(1h,5h)-pyrimidinedione, 5-ethyldihydro-5-phenyl-;5-ethyl-5-phenyldihydropyrimidine-4,6(1h,5h)-dione;5-ethyldihydro-5-phenyl-4,6(1h,5h)-pyrimidinedione;125-33-7","C1(=O)C(c2ccccc2)(CC)C(=O)NCN1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP476","2-deoxyphenobarbital; 5-ethyldihydro-5-phenyl-4,6(1H,5H)-pyrimidinedione; primacione; primacone; primakton; Primidone; primoline; prysoline; pyrimidone medi-pets; resimatil; roe 101; sertan; 5-ethylhe|||xahydro-4,6-dioxo-5-phenylpyrimidine; 5-ethylhexahyd","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["95-78-3","benzenamine, 2,5-dimethyl-;2,5-dimethylaniline;2,5-xylidine;2,5-dimethyl-phenylamine;2,5-xylidine.hcl;2,5-dimethyl-aniline;2,5-xylidene;2,5-dimethyl aniline;95-78-3","c1(C)c(N)cc(C)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB",null,"Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011","51786-53-9","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"Primary aromatic amine, hydroxyl amine and its derived esters",1]
["90-41-5","[1,1'-biphenyl]-2-amine;2-aminobiphenyl (2-phenylaniline);2-aminobiphenyl;biphenyl-2-ylamine;o-aminobiphenyl;2-biphenylamine hydrochloride;2-biphenylamine;1,1'-biphenyl -2-amine;Х1,1'-biphenylе-2-amine;biphenyl-2-amine;biphenyl2ylamine;(1,1'-biphenyl)-2-amine","c1(-c2c(N)cccc2)ccccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP233","2-aminobiphenyl hydrochloride; ntp-11205-a.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011","2185-92-4","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"Primary aromatic amine, hydroxyl amine and its derived esters",1]
["518-82-1","emodin;1,3,8-trihydroxy-6-methylanthraquinone;1,3,8-trihydroxy-6-methylanthracene-9,10-dione;1,3,8-trihydroxy-6-methylanthra-9,10-quinone;anthraquinone, 1,3,8-trihydroxy-6-methyl- (8ci)","c12C(=O)c3c(C(=O)c1c(O)cc(C)c2)c(O)cc(O)c3","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP493","1,3,8-Trihydroxy-6-methylanthraquinone; 6-methyl-1,3,8-trihydroxyanthraquinone; 9,10-anthracenedione, 1,3,8-trihydroxy-6-methyl-; C.I. 75440; C.I. natural yellow 14; emodol; frangula emodin; persian b|||erry lake; rheum emodium; schuttgelb.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones",1,"No alert found",0,"Quinones (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones",1,"Quinones",1,"H-acceptor-path3-H-acceptor|Quinones",1]
["62450-07-1","3-amino-1-methyl-5h-pyrido[4,3-b]indole;trp-p-2 acetate;1-methyl-5h-pyrido[4,3-b]indol-3-amine;5h-pyrido(4,3-b)indole, 3-amino-1-methyl-","c12-c3c(cc(N)nc3C)Nc1cccc2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","Moderate Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB",null,"Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011","72254-58-1","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Heterocyclic Polycyclic Aromatic Hydrocarbons|Primary aromatic amine,hydroxyl amine and its derived esters",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["3099-31-8","3-(chloromethyl) pyridine hydrochloride","c1(CCl)cccnc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","Low Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP95","3-Picolyl chloride hydrochloride.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011","6959-48-4","Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups",1,"SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides",1,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups",1,"Aliphatic halogens",1,"Aliphatic halogen",1]
["2871-01-4","hc red no. 3;hc red 3;hc red no.3;n'-(2-hydroxyethyl)-2-nitro-4-phenylenediamine;2-(4-amino-2-nitroanilino)ethanol;ethanol, 2-[(4-amino-2-nitrophenyl)amino]-;2-[(4-amino-2-nitrophenyl)amino]ethanol;2-(4-amino 2 nitrophenylamino)-ethanol (hc red #3)","c1(NCCO)c(N(=O)=O)cc(N)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP281","2-(4-amino-2-nitroanilino)-ethanol; 2-((4-Amino-2-nitrophenyl)amino)ethanol; hc red 3; N-(2-hydroxyethyl)-2-nitro-p-phenylenediamine.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro|SN1 >> Nitrenium Ion formation >> Primary aromatic amine|SN1 >> Nitrenium Ion formation >> Secondary aromatic amine",1,"Nitro-aromatic (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic|Primary aromatic amine,hydroxyl amine and its derived esters",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["505-60-2","sulfur mustard;bis(2-chloroethyl)sulfide;di-2-chloroethyl sulfide;bis-(2-chloroethyl) sulfide (sulfur mustard);ethane, 1,1'-thiobis[2-chloro-;1,1'-thiobis[2-chloroethane];1,1'-thiobis(2-chloroethane);mustard gas;ethane, 1,1'-thiobis(2-chloro-;505-60-2","C(Cl)CSCCCl","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","Toxnet","1-chloro-2-(beta-chloroethylthio)ethane; 2,2'-dichlorodiethyl sulfide; 2,2'-dichloroethyl sulfide; beta, beta'-dichlorodiethyl sulfide; beta, beta'-dichloroethyl sulfide; Bis(beta-chloroethyl)sulfide;||| HD; HD (chemical warfare agent); HS; Iprit; Kampfst","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"No alert found",0,"SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> Mustards",1,"S or N mustard (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"S or N mustard",1,"S or N mustard",1]
["68006-83-7","2-amino-3-methyl-9h-pyrido[2,3-b]indole;2-amino-3-methyl-9h-pyrido[2,3-b]indole acetate;9h-pyrido(2,3-b)indole, 2-amino-3-methyl-","c12-c3c(cccc3)Nc1nc(N)c(C)c2","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","Moderate Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","Toxnet","Me-A-alpha-C; MeA-C.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"No alert found",0,"Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Heterocyclic Polycyclic Aromatic Hydrocarbons|Primary aromatic amine,hydroxyl amine and its derived esters",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["23246-96-0","seneciphylline;riddelliine;riddelline;(15z)-12,18-dihydroxy-13,19-didehydrosenecionan-11,16-dione;senecionan-11,16-dione, 13,19-didehydro-12,18-dihydroxy- (9ci);18-hydroxy","C1(=O)C(O)(CO)C(=C)CC(=CC)C(=O)OC2C3C(=CCN3CC2)CO1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","N/A","YES","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP508","13,19-didehydro-12,18-dihydroxysenecionan-11,16-dione; stereoisomer of 3-ethylidene-3,4,5,6,9,11,13,14,14alpha,14beta-decahydro-6-hydroxy-6-(hydroxymethyl)-5-methylene(1,6)dioxacyclododecino[2,3,4-gh]|||-pyrrolizidine-2,7-dione; trans-15-ethylidene-12beta","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"No alert found",0,"Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated esters|SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"Pyrrolizidine alkaloids (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["4377-33-7","2-(chloromethyl)pyridine hydrochloride","c1(CCl)ccccn1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","Low Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP178","2-(Chloromethyl)pyridinium chloride; 2-Picolyl chloride hydrochloride; 2-pyridylmethylchloride hydrochloride.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011","6959-47-3","Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups",1,"SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides",1,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups",1,"Aliphatic halogens",1,"Aliphatic halogen",1]
["926-06-7","2-propanol;isopropyl methanesulfonate;isopropylmethanesulfonate;isopropyl methanesulphonate;methanesulfonic acid, 1-methylethyl ester;propan-2-yl methanesulfonate;methanesulfonyl","C(C)(C)OS(C)(=O)=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","Toxnet","-","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Sulfonates and Sulfates",1,"SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Sulfonates",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Sulfonates and Sulfates",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid|H-acceptor-path3-H-acceptor",1]
["13010-07-6","n-propyl-n'-nitro-n-nitrosoguanidine;n'-nitro-n-nitroso-n-propylguanidine;3-nitro-1-nitroso-1-propylguanidine;guanidine, n'-nitro-n-nitroso-n-propyl- (9ci)","C(=N)(N(CCC)N=O)NN(=O)=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","N'-Nitro-N-Nitroso-N-Propylguanidine, 98%.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2",1,"Aliphatic N-nitro group (Genotox)|Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"Aliphatic N-nitro group|Alkyl and aryl N-nitroso groups",1,"Aliphatic N-nitro group|Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor",1]
["1120-71-4","1,3-propane sultone;1,2-oxathiolane, 2,2-dioxide;propane sultone;2,2-dioxide-1,2-oxathiolane;1,3-propanesultone;1-propanesulfonic acid, 3-hydroxy-, .gamma.-sultone;1,2-oxathiolane 2,2-dioxide;1,3propanesultone","C1CCOS1(=O)=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","1,2-Oxathiolane 2,2-dioxide; 1,2-OXATHIOLANE 2,2-DIOXIDE (1,3-PROPANE SULTONE); 1,3-Propane Sultone; 3-Hydroxy-1-propanesulfonic acid gamma-sultone.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"SN2|SN2 >> Ring opening SN2 reaction|SN2 >> Ring opening SN2 reaction >> Sultones|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Sulfonates and Sulfates",1,"SN2|SN2 >> Ring opening SN2 Reaction|SN2 >> Ring opening SN2 Reaction >> Sultones",1,"Propiolactones or propiosultones (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Ring opening SN2 reaction|SN2 >> Ring opening SN2 reaction >> Sultones|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Sulfonates and Sulfates",1,"Propiolactones or propiosultones",1,"H-acceptor-path3-H-acceptor|Propiolactones or propiosultones",1]
["816-57-9","n-propyl-n-nitrosourea;1-propyl-1-nitrosourea;propylnitrosourea;1-propyl-nitrosourea;1-nitroso-1-propylurea;urea, 1-nitroso-1-propyl- (8ci);816-57-9","C(N)(=O)N(CCC)N=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB",null,"Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2",1,"Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"Alkyl and aryl N-nitroso groups",1,"Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor",1]
["122-60-1","phenylglycidyl ether;phenyl glycidyl ether;oxirane, 2-(phenoxymethyl)-;phenyl glydidyl ether;1-phenoxy-2,3-epoxypropane;oxirane, (phenoxymethyl)-;propane, 1,2-epoxy-3-phenoxy-\"\"\";2,3-epoxypropyl phenyl ether;propane, 1,2-epoxy-3-phenoxy-;2-(phenoxymethyl)oxirane;1,2epoxy3phenoxypropane (phenylglycidylether);phenylglycidil ether;propane, 1,2-epoxy-3-phenoxy-\";122-60-1","c1(OCC2CO2)ccccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","(+/-)-1,2-Epoxy-3-phenoxypropane; 1,2-Epoxy-3-phenoxypropane; 2,3-epoxypropyl phenyl ether; 3-phenoxy-1,2-epoxypropane; benzene, (2,3-epoxypropoxy)-; Glycidyl Phenyl Ether; PGE; (phenoxymethyl)oxirane|||; phenoxypropene oxide; Phenyl 2,3-epoxypropyl ether","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides",1,"Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Epoxides and aziridines",1,"Epoxides and aziridines|H-acceptor-path3-H-acceptor",1]
["5632-47-3","n-nitrosopiperazine;1-nitrosopiperazine;piperazine, 1-nitroso-;5632-47-3","C1CN(N=O)CCN1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB & Toxnet",null,"Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2",1,"Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"Alkyl and aryl N-nitroso groups",1,"Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor",1]
["106-50-3","1,4-benzenediamine;1,4-phenylenediamine (4-aminoaniline);p-phenylenediamine;p-phenylenediamine dihydrochloride;benzene-1,4-diamine;paraphenylenediamine;4-amino-aniline;4-phenylenediamine;1,4-phenylenediamine;para-phenylenediamine","c1(N)ccc(N)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP174","1,4-Benzenediamine dihydrochloride; 1,4-Diaminobenzene dihydrochloride; 1,4-Phenylenediamine Dihydrochloride; p-Amimoaniline dihydrochloride; 4-Aminoaniline dihydrochloride; p-benzenediamine dihydroch|||loride; p-Diaminobenzene dihydrochloride; p-pda HCl;","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011","624-18-0","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"Primary aromatic amine, hydroxyl amine and its derived esters",1]
["7227-91-0","3,3-dimethyl-1-phenyltriazene;1-phenyl-3,3-dimethyltriazene;n,n-dimethyltriazenobenzene;n,n-dimethyltriazenobenzene\"\"\";3,3-dimethyl-1-phenyltriaz-1-ene;(1e)-3,3-dimethyl-1-phenyltriaz-1-ene;n,n-dimethyltriazenobenzene\";1-triazene, 3,3-dimethyl-1-phenyl- (9ci)","c1(N=NN(C)C)ccccc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","N/A","YES","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","3,3-dimethyl-1-phenyl-1-Triazene; 3,3-dimethyl-1-phenyltriazene; DMPT; N,N-Dimethyltriazenobenzene; PDMT; PDT.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"SN2|SN2 >> Carbenium Ion Formation|SN2 >> Carbenium Ion Formation >> Acyclic Triazenes",1,"No alert found",0,"Azide and triazene groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Carbenium Ion Formation|SN2 >> Carbenium Ion Formation >> Acyclic Triazenes",1,"Azide and triazene groups",1,"Azide and triazene groups|H-acceptor-path3-H-acceptor",1]
["55-63-0","nitroglycerine;nitroglycerin;trinitroglycerin;1,2,3-propanetriol trinitrate;1,2,3-propanetriol, trinitrate;nitroglycerin\"\"\";glycerol trinitrate;nitroglycerin [usan:jan];propane-1,2,3-triyl trinitrate;propane1,2,3triyltrinitrate;nitroglycerin\"","C(CON(=O)=O)(CON(=O)=O)ON(=O)=O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","1,2,3-Propanetriol trinitrate","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Radical|Radical >> Radical decomposition|Radical >> Radical decomposition >> Alkylnitrites|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Alkylnitrites|SN1|SN1 >> Nitrosation|SN1 >> Nitrosation >> Alkylnitrites",1,"No alert found",0,"No alert found",0,"Radical|Radical >> Radical decomposition|Radical >> Radical decomposition >> Alkylnitrites|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Alkylnitrites|SN1|SN1 >> Nitrosation|SN1 >> Nitrosation >> Alkylnitrites",1,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["95-68-1","benzenamine, 2,4-dimethyl-;2,4-dimethylaniline;2,4-dimethyl-phenylamine;2,4-xylidine.hcl;2,4-dimethyl-aniline;2,4-xylidine;1-amino-2,4-dimethylbenzene;95-68-1","c1(N)c(C)cc(C)cc1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB",null,"Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011","21436-96-4","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"Primary aromatic amine, hydroxyl amine and its derived esters",1]
["107-07-3","ethylene chlorohydrin;chloroethanol, 2-;chloroethanol;2-chloroethanol;2-chloro-ethanol;2-chloroethanol [ethylene chlorohydrin];ethanol, 2-chloro-;ethylene chlorhydrin;107-07-3","C(Cl)CO","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP275","2-Chloro-1-ethanol; 2-monochloroethanol; beta-chloroethyl alcohol; Chloroethanol; delta-chloroethanol; ethylene chlorohydrin; ethylene glycol, chlorohydrin; Glycol chlorohydrin; glycol monochlorohydri|||n; glycomonochlorohydrin.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Elimination (E2)|Elimination (E2) >> E2 elimination reaction with epoxide formation|Elimination (E2) >> E2 elimination reaction with epoxide formation >> Haloalcohols|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Haloalcohols",1,"SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides",1,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Elimination (E2)|Elimination (E2) >> E2 elimination reaction with epoxide formation|Elimination (E2) >> E2 elimination reaction with epoxide formation >> Haloalcohols|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Haloalcohols",1,"Aliphatic halogens",1,"Aliphatic halogen",1]
["96-13-9","2,3-dibromopropanol;dibromo-1-propanol, 2,3-;2,3-dibromo-1-propanol;2,3-dibromopropan-1-ol;1-propanol, 2,3-dibromo-;2,3dibromopropan1ol","C(Br)(CO)CBr","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","NTP400","2,3-Dibromopropanol; allyl alcohol dibromide; beta-dibromohydrin; dibromopropanol; glycerol 1,2-dibromohydrin.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"Elimination (E2)|Elimination (E2) >> E2 elimination reaction with epoxide formation|Elimination (E2) >> E2 elimination reaction with epoxide formation >> Haloalcohols|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Haloalcohols|SN2|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation >> Vicinal Dihaloalkanes",1,"SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> 1,2-Dihaloalkanes",1,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Elimination (E2)|Elimination (E2) >> E2 elimination reaction with epoxide formation|Elimination (E2) >> E2 elimination reaction with epoxide formation >> Haloalcohols|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Haloalcohols|SN2|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation >> Vicinal Dihaloalkanes",1,"Aliphatic halogens",1,"Aliphatic halogen",1]
["10048-13-2","sterigmatocystin;(3ar-cis)3a,12c-dihydro-8-hydroxy-6-methoxy-7h-furo[3',2':4,5]furo[2,3-c]xanthen-7-one;8-hydroxy-6-methoxy-3a,12c-dihydro-7h-furo[3',2':4,5]furo[2,3-c]xanthen-7-one;3a,12c-dihydro-8-hydroxy-6-methoxy-7h-furo[3',2':4,5]furo[2,3-c]xanthen-7-one;8-hydroxy-6-(methyloxy)-3a,12c-dihydro-7h-furo[3',2':4,5]furo[2,3-c]xanthen-7-one;(3ar-cis)3a,12c-dihydro-8-hydroxy-6-methoxy-7h-furo(3',2':4,5)furo(2,3-c)xanthen-7-one","c12C(=O)c3c(c4c(cc3OC)OC3C4C=CO3)Oc1cccc2O","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","3a,12c-dihydro-8-hydroxy-6-methoxy-7H-Furo[3',2':4,5]furo[2,3-c]xanthen-7-one.","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"1-phenoxy-benzene|H-acceptor-path3-H-acceptor",1]
["2318-18-5","senkirkine;4,8-secosenecionan-8,11,16-trione, 12-hydroxy-4-methyl- (9ci)","C1(=O)C(C)(O)C(C)CC(=CC)C(=O)OC2C(=O)C(=CCN(C)CC2)CO1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB",null,"Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"No alert found",0,"Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated esters|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated ketones|SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["538-23-8","tricaprylin;trioctonoin;sefsol668;glycerol trioctanoate;octanoic acid, 1,2,3-propanetriyl ester;octanoin, tri-;tricaprilin [jan];propane-1,2,3-triyl trioctanoate;538-23-8","C(=O)(CCCCCCC)OC(COC(=O)CCCCCCC)COC(=O)CCCCCCC","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB",null,"Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"No alert found",{"$f":"IF(X386=\"No alert found\",0,1)","v":0},"No alert found",{"$f":"IF(Z386=\"No alert found\",0,1)","v":0},"No alert found",{"$f":"IF(AB386=\"No alert found\",0,1)","v":0},"No alert found",{"$f":"IF(AD386=\"No alert found\",0,1)","v":0},"No alert found",{"$f":"IF(AF386=\"No alert found\",0,1)","v":0},"H-acceptor-path3-H-acceptor",{"$f":"IF(AH386=\"No alert found\",0,1)","v":1}]
["148-79-8","thiabendazole;2-thiazol-4-yl-1h-benzoimidazole;thiabendazol;2-(4-thiazolyl)-benzimazole;1h-benzimidazole, 2-(4-thiazolyl)-;2-(1,3-thiazol-4-yl)-1h-benzimidazole;2-(4-thiazolyl)-1h-benzimidazole;148-79-8","C1(C2=CSC=N2)=Nc2c(cccc2)N1","Positive",null,null,"Gene mutation",null,"Human Health Hazards#Genetic Toxicity","Carcinogenicity&mutagenicity ISSCAN","High Quality","NO","Romualdo Benigni","Mutagenicity in Salmonella typhimurium (Ames test): 3 = mutagen; 2 = equivocal; 1 =nonmutagen. Usually, the sources of data are those quoted in Reference for carcinogenicity data; however, for some chemicals the sources may be different;","No","CPDB","2-(4-Thiazolyl)-1H-benzimidazole","Salmonella typhimurium","Bacterial reverse mutation assay (e.g. Ames test)","Gene mutation","In Vitro","16.7.2011",null,"No alert found",0,"No alert found",0,"Imidazole, benzimidazole (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]

{"sheet":"Micronucleus ISSSTY","index":4,"n_rows":118,"n_cols":28,"rows_kept":118}
["Human Health Hazards#Genetic Toxicity","Micronucleus ISSMIC","High Quality","NO","Romualdo Benigni",null,"Negative","NTP","MM B6C3F1, IP (TB:Pos);","Male","Mouse","micronucleus assay","bone marrow cells","Chromosome aberration","In Vivo","16.07.2010","No alert found",{"$f":"IF(Q1=\"No alert found\",0,1)","v":0},"Acylation|Acylation >> Isocyanates and Isothiocyanates|Acylation >> Isocyanates and Isothiocyanates >> Isothiocyanates",{"$f":"IF(S1=\"No alert found\",0,1)","v":1},"Isocyanate and isothiocyanate groups (Genotox)|Structural alert for genotoxic carcinogenicity",{"$f":"IF(U1=\"No alert found\",0,1)","v":1},"No alert found",0,"Isocyanate and isothiocyanate groups",{"$f":"IF(Y1=\"No alert found\",0,1)","v":1},"Isocyanate and isothiocyanate groups",{"$f":"IF(AA1=\"No alert found\",0,1)","v":1}]
["Human Health Hazards#Genetic Toxicity","Micronucleus ISSMIC","High Quality","NO","Romualdo Benigni",null,"Negative","NTP","MM B6C3F1, IP (TB:PosHD); MF B6C3F1, IP (TB:Pos);","Male","Mouse","micronucleus assay","bone marrow cells","Chromosome aberration","In Vivo","16.07.2010","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"Primary aromatic amine, hydroxyl amine and its derived esters",1]
["Human Health Hazards#Genetic Toxicity","Micronucleus ISSMIC","High Quality","NO","Romualdo Benigni",null,"Negative","CCRIS","MM CD-1 SPF, Gavage (TB:Pos); MF CD-1 SPF, Gavage (TB:Pos);","Male","Mouse","micronucleus assay","bone marrow cells","Chromosome aberration","In Vivo","16.07.2010","No alert found",0,"No alert found",0,"Halogenated PAH (naphthalenes, biphenyls, diphenyls) (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"1-phenoxy-benzene|H-acceptor-path3-H-acceptor",1]
["Human Health Hazards#Genetic Toxicity","Micronucleus ISSMIC","High Quality","NO","Romualdo Benigni",null,"Negative","NTP","MM B6C3F1, IP (TB:PosHD); RM Fischer 344, IP (TB:Neg);","Male","Mouse","micronucleus assay","bone marrow cells","Chromosome aberration","In Vivo","16.07.2010","No alert found",0,"Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated ketones",1,"alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"alpha,beta-unsaturated carbonyls",1,"alpha,beta-unsaturated carbonyls",1]
["Human Health Hazards#Genetic Toxicity","Micronucleus ISSMIC","High Quality","NO","Romualdo Benigni",null,"Equivocal","NTP","MM B6C3F1, IP (TB:PosHD); RM Fischer 344, IP and Gavage (TB:Pos);","Male","Rat","micronucleus assay","bone marrow cells","Chromosome aberration","In Vivo","16.07.2010","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Nitro-aromatic (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic|Primary aromatic amine,hydroxyl amine and its derived esters",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["Human Health Hazards#Genetic Toxicity","Micronucleus ISSMIC","High Quality","NO","Romualdo Benigni",null,"Negative","NTP","MM B6C3F1, IP (TB:Pos);","Male","Mouse","micronucleus assay","bone marrow cells","Chromosome aberration","In Vivo","16.07.2010","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["Human Health Hazards#Genetic Toxicity","Micronucleus ISSMIC","High Quality","NO","Romualdo Benigni",null,"Positive","NTP","MM B6C3F1, IP (TB:PosHD);","Male","Mouse","micronucleus assay","bone marrow cells","Chromosome aberration","In Vivo","16.07.2010","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones",1,"No alert found",0,"Quinones (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones",1,"Quinones",1,"H-acceptor-path3-H-acceptor|Quinones",1]
["Human Health Hazards#Genetic Toxicity","Micronucleus ISSMIC","High Quality","NO","Romualdo Benigni",null,"Negative","CCRIS & NTP","MM B6C3F1, IP (TB:PosHD);","Male","Mouse","micronucleus assay","bone marrow cells","Chromosome aberration","In Vivo","16.07.2010","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["Human Health Hazards#Genetic Toxicity","Micronucleus ISSMIC","High Quality","NO","Romualdo Benigni",null,"Negative","NTP","MM B6C3F1, Inh (TB:PosHD);","Male","Mouse","micronucleus assay","bone marrow cells","Chromosome aberration","In Vivo","16.07.2010","Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Specific Acetate Esters|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Specific Acetate Esters|SN2|SN2 >> Acylating agents|SN2 >> Acylating agents >> Specific Acetate Esters|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Specific Acetate Esters",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes",1,"No alert found",0,"Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Specific Acetate Esters|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Specific Acetate Esters|SN2|SN2 >> Acylating agents|SN2 >> Acylating agents >> Specific Acetate Esters|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Specific Acetate Esters",1,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["Human Health Hazards#Genetic Toxicity","Micronucleus ISSMIC","High Quality","NO","Romualdo Benigni",null,"Negative","CCRIS & NTP","MM Swiss, Oral (TB:Neg); MF Swiss, Oral (TB:Neg); RM Fischer 344, IP (TB:Pos);","Male","Rat","micronucleus assay","bone marrow cells","Chromosome aberration","In Vivo","16.07.2010","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0]
["Human Health Hazards#Genetic Toxicity","Micronucleus ISSMIC","High Quality","NO","Romualdo Benigni",null,"Negative","NTP","MM B6C3F1, IP (TB:Pos1D);","Male","Mouse","micronucleus assay","bone marrow cells","Chromosome aberration","In Vivo","16.07.2010","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Quinones (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Primary aromatic amine,hydroxyl amine and its derived esters|Quinones",1,"H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters|Quinones",1]
["Human Health Hazards#Genetic Toxicity","Micronucleus ISSMIC","High Quality","NO","Romualdo Benigni",null,"Negative","CCRIS & NTP","MM DDY, IP (TB:ND);  MM B6C3F1, IP (TB:Pos);","Male","Mouse","micronucleus assay","bone marrow cells","Chromosome aberration","In Vivo","16.07.2010","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes",1,"No alert found",0,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes",1,"Aliphatic halogens",1,"Aliphatic halogen",1]
["Human Health Hazards#Genetic Toxicity","Micronucleus ISSMIC","High Quality","NO","Romualdo Benigni",null,"Negative","NTP","MM B6C3F1, IP (TB:Pos);","Male","Mouse","micronucleus assay","bone marrow cells","Chromosome aberration","In Vivo","16.07.2010","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes",1,"Phtalate (or buthyl) diesters and monoesters (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["Human Health Hazards#Genetic Toxicity","Micronucleus ISSMIC","High Quality","NO","Romualdo Benigni",null,"Negative","NTP","MM B6C3F1, IP (TB:PosHD);","Male","Mouse","micronucleus assay","bone marrow cells","Chromosome aberration","In Vivo","16.07.2010","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["Human Health Hazards#Genetic Toxicity","Micronucleus ISSMIC","High Quality","NO","Romualdo Benigni",null,"Negative","Crebelli R. et al.(1999) Mutagenesis 14:207-215","MM CD-1 (ICR) BR, IP (TB:Pos1D); MF CD-1 (ICR) BR, IP (TB:Neg);","Male","Mouse","micronucleus assay","bone marrow cells","Chromosome aberration","In Vivo","16.07.2010","No alert found",0,"No alert found",0,"Alkyl halides (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"No alert found",0]
["Human Health Hazards#Genetic Toxicity","Micronucleus ISSMIC","High Quality","NO","Romualdo Benigni",null,"Negative","NTP","MM B6C3F1, IP (TB:Pos1D);","Male","Mouse","micronucleus assay","bone marrow cells","Chromosome aberration","In Vivo","16.07.2010","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["Human Health Hazards#Genetic Toxicity","Micronucleus ISSMIC","High Quality","NO","Romualdo Benigni",null,"Negative","NTP","MM B6C3F1, IP (TB:Pos);","Male","Mouse","micronucleus assay","bone marrow cells","Chromosome aberration","In Vivo","16.07.2010","Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups",1,"SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides",1,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Schiff base fomers|Schiff base fomers >> Multi-step Shiff base formation|Schiff base fomers >> Multi-step Shiff base formation >> Haloalkanes Containing Electron-Withdrawing Groups|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Electron-Withdrawing Groups",1,"Aliphatic halogens",1,"Aliphatic halogen",1]
["Human Health Hazards#Genetic Toxicity","Micronucleus ISSMIC","High Quality","NO","Romualdo Benigni",null,"Positive","CCRIS & NTP","MM Fisher 344 or SD, Oral or IP, Reticulocytes (TB:PosHD);","Male","Mouse","micronucleus assay","peripheral blood","Chromosome aberration","In Vivo","16.07.2010","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["Human Health Hazards#Genetic Toxicity","Micronucleus ISSMIC","High Quality","NO","Romualdo Benigni",null,"Positive","CCRIS & NTP","RM Norway, IP (TB:ND); MM B6C3F1, IP (TB:Pos);","Male","Mouse","micronucleus assay","bone marrow cells","Chromosome aberration","In Vivo","16.07.2010","No alert found",0,"No alert found",0,"Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"No alert found",0]
["Human Health Hazards#Genetic Toxicity","Micronucleus ISSMIC","High Quality","NO","Romualdo Benigni",null,"Negative","NTP","MM B6C3F1, IP (TB:Pos); MF B6C3F1, IP (TB:Pos); RM Fischer 344,  IP (TB:Neg);","Male","Mouse","micronucleus assay","bone marrow cells","Chromosome aberration","In Vivo","16.07.2010","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones",1,"No alert found",0,"Quinones (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones",1,"Quinones",1,"H-acceptor-path3-H-acceptor|Quinones",1]
["Human Health Hazards#Genetic Toxicity","Micronucleus ISSMIC","High Quality","NO","Romualdo Benigni","BMMM(1) B6C3F1, IP (TB:Neg),","Positive","NTP","MM B6C3F1, IP, Reticulocytes (TB:Pos);","Male","Mouse","micronucleus assay","peripheral blood","Chromosome aberration","In Vivo","16.07.2010","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["Human Health Hazards#Genetic Toxicity","Micronucleus ISSMIC","High Quality","NO","Romualdo Benigni",null,"Negative","NTP","MM B6C3F1, IP (TB:Pos);","Male","Mouse","micronucleus assay","bone marrow cells","Chromosome aberration","In Vivo","16.07.2010","No alert found",0,"No alert found",0,"Phtalate (or buthyl) diesters and monoesters (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["Human Health Hazards#Genetic Toxicity","Micronucleus ISSMIC","High Quality","NO","Romualdo Benigni",null,"Negative","NTP","MM B6C3F1, IP (TB:Pos);","Male","Mouse","micronucleus assay","bone marrow cells","Chromosome aberration","In Vivo","16.07.2010","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0]
["Human Health Hazards#Genetic Toxicity","Micronucleus ISSMIC","High Quality","NO","Romualdo Benigni",null,"Negative","CCRIS & NTP","RM Fischer 344, IP (TB:Pos);","Male","Rat","micronucleus assay","bone marrow cells","Chromosome aberration","In Vivo","16.07.2010","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"No alert found",0,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid|H-acceptor-path3-H-acceptor",1]
["Human Health Hazards#Genetic Toxicity","Micronucleus ISSMIC","High Quality","NO","Romualdo Benigni",null,"Negative","NTP","MM B6C3F1, IP (TB:PosHD);","Male","Mouse","micronucleus assay","bone marrow cells","Chromosome aberration","In Vivo","16.07.2010","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["Human Health Hazards#Genetic Toxicity","Micronucleus ISSMIC","High Quality","NO","Romualdo Benigni",null,"Negative","NTP","MM B6C3F1, Gavage (TB:Pos1D);","Male","Mouse","micronucleus assay","bone marrow cells","Chromosome aberration","In Vivo","16.07.2010","Nucleophilic addition|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization >> Hydrazine Derivatives|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Hydrazine Derivatives",1,"No alert found",0,"Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Hydrazine",1,"H-acceptor-path3-H-acceptor|Hydrazine",1]
["Human Health Hazards#Genetic Toxicity","Micronucleus ISSMIC","High Quality","NO","Romualdo Benigni",null,"Negative","CCRIS & NTP","MM B6C3F1, IP (TB:Pos); MM CD-1, IP(TB:ND); MF CD-1, IP(TB:ND); MM Balb/C, IP (TB:Pos);","Male","Mouse","micronucleus assay","bone marrow cells","Chromosome aberration","In Vivo","16.07.2010","SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["Human Health Hazards#Genetic Toxicity","Micronucleus ISSMIC","High Quality","NO","Romualdo Benigni",null,"Negative","NTP","RM Fischer 344, IP (TB:Pos1D);","Male","Rat","micronucleus assay","bone marrow cells","Chromosome aberration","In Vivo","16.07.2010","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides",1,"Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Epoxides and aziridines",1,"Epoxides and aziridines",1]
["Human Health Hazards#Genetic Toxicity","Micronucleus ISSMIC","N/A","YES","Romualdo Benigni",null,"Negative","CCRIS & NTP","MM CBA, IP (TB:ND); MM B6C3F1, IP (TB:Pos); MF B6C3F1, IP (TB:Neg); RM F344, IP (TB:Pos);","Male","Mouse","micronucleus assay","bone marrow cells","Chromosome aberration","In Vivo","16.07.2010","No alert found",0,"No alert found",0,"Steroidal estrogens (nongenotoxic & genotoxic)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"No alert found",0]
["Human Health Hazards#Genetic Toxicity","Micronucleus ISSMIC","High Quality","NO","Romualdo Benigni",null,"Negative","NTP","MM B6C3F1, IP (TB:Pos);","Male","Mouse","micronucleus assay","bone marrow cells","Chromosome aberration","In Vivo","16.07.2010","No alert found",0,"No alert found",0,"Phtalate (or buthyl) diesters and monoesters (Nongenotox)|Structural alert for nongenotoxic carcinogenicity|Substituted n-alkylcarboxylic acids (Nongenotox)",1,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["Human Health Hazards#Genetic Toxicity","Micronucleus ISSMIC","High Quality","NO","Romualdo Benigni",null,"Positive","CCRIS & NTP","RM Fisher 344 or Sprague Dawley, Oral or IP, Reticulocytes (TB:Pos);","Male","Rat","micronucleus assay","peripheral blood","Chromosome aberration","In Vivo","16.07.2010","No alert found",0,"No alert found",0,"Phtalate (or buthyl) diesters and monoesters (Nongenotox)|Structural alert for nongenotoxic carcinogenicity|Substituted n-alkylcarboxylic acids (Nongenotox)",1,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["Human Health Hazards#Genetic Toxicity","Micronucleus ISSMIC","High Quality","NO","Romualdo Benigni",null,"Negative","CCRIS & NTP","MM B6C3F1, IP (TB:ND); MM DDY, IP (TB:Pos);","Male","Mouse","micronucleus assay","bone marrow cells","Chromosome aberration","In Vivo","16.07.2010","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones|SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Allyl benzenes",1,"Alkylbenzenes (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["Human Health Hazards#Genetic Toxicity","Micronucleus ISSMIC","High Quality","NO","Romualdo Benigni",null,"Negative","NTP","MM B6C3F1, IP (TB:Pos);","Male","Mouse","micronucleus assay","bone marrow cells","Chromosome aberration","In Vivo","16.07.2010","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation of Heterocyclic Ring Systems|Michael addition >> P450 Mediated Activation of Heterocyclic Ring Systems >> Furans",1,"Benzenesulfonic ethers, methylation (Nongenotox)|Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["Human Health Hazards#Genetic Toxicity","Micronucleus ISSMIC","High Quality","NO","Romualdo Benigni",null,"Positive","NTP","RM Fischer 344, IP (TB:Pos1D);","Male","Mouse","micronucleus assay","peripheral blood","Chromosome aberration","In Vivo","16.07.2010","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Alkyl phenols",1,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0]
["Human Health Hazards#Genetic Toxicity","Micronucleus ISSMIC","High Quality","NO","Romualdo Benigni",null,"Negative","NTP","MM B6C3F1, IP (TB:Pos);","Male","Mouse","micronucleus assay","bone marrow cells","Chromosome aberration","In Vivo","16.07.2010","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["Human Health Hazards#Genetic Toxicity","Micronucleus ISSMIC","High Quality","NO","Romualdo Benigni",null,"Negative","NTP","MM B6C3F1, IP (TB:Pos1D);","Male","Mouse","micronucleus assay","bone marrow cells","Chromosome aberration","In Vivo","16.07.2010","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0]
["Human Health Hazards#Genetic Toxicity","Micronucleus ISSMIC","High Quality","NO","Romualdo Benigni",null,"Negative","NTP","MM B6C3F1, IP (TB:Pos1D); MM B6C3F1, Gavage (TB:Neg);","Male","Mouse","micronucleus assay","bone marrow cells","Chromosome aberration","In Vivo","16.07.2010","No alert found",0,"Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated amides",1,"alpha,beta-unsaturated carbonyls (Genotox)|N-methylol derivatives (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"alpha,beta-unsaturated carbonyls|N-methylol derivatives",1,"alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor|N-methylol derivatives",1]
["Human Health Hazards#Genetic Toxicity","Micronucleus ISSMIC","High Quality","NO","Romualdo Benigni",null,"Negative","NTP","MM B6C3F1, IP (TB:Pos1D);","Male","Mouse","micronucleus assay","bone marrow cells","Chromosome aberration","In Vivo","16.07.2010","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Unsaturated heterocyclic nitro",1,"Hydrazine (Genotox)|Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Hydrazine|Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Hydrazine|Nitro-aromatic",1]
["Human Health Hazards#Genetic Toxicity","Micronucleus ISSMIC","High Quality","NO","Romualdo Benigni",null,"Negative","NTP","MM B6C3F1, IP (TB:Pos);","Male","Mouse","micronucleus assay","bone marrow cells","Chromosome aberration","In Vivo","16.07.2010","No alert found",0,"No alert found",0,"Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Hydrazine",1,"H-acceptor-path3-H-acceptor|Hydrazine",1]
["Human Health Hazards#Genetic Toxicity","Micronucleus ISSMIC","High Quality","NO","Romualdo Benigni",null,"Negative","NTP","MM B6C3F1, IP (TB:Pos);","Male","Mouse","micronucleus assay","bone marrow cells","Chromosome aberration","In Vivo","16.07.2010","No alert found",0,"No alert found",0,"Halogenated PAH (naphthalenes, biphenyls, diphenyls) (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"No alert found",0]
["Human Health Hazards#Genetic Toxicity","Micronucleus ISSMIC","N/A","YES","Romualdo Benigni",null,"Negative","NTP","MM B6C3F1, IP (TB:Pos1D);","Male","Mouse","micronucleus assay","bone marrow cells","Chromosome aberration","In Vivo","16.07.2010","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones|SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"No alert found",0,"No alert found",0,"No alert found",0,"1,3-dialkoxy-benzene|H-acceptor-path3-H-acceptor",1]
["Human Health Hazards#Genetic Toxicity","Micronucleus ISSMIC","High Quality","NO","Romualdo Benigni",null,"Negative","NTP","MM B6C3F1, IP (TB:Pos);","Male","Mouse","micronucleus assay","bone marrow cells","Chromosome aberration","In Vivo","16.07.2010","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Benzenesulfonic ethers, methylation (Nongenotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["Human Health Hazards#Genetic Toxicity","Micronucleus ISSMIC","High Quality","NO","Romualdo Benigni",null,"Negative","CCRIS & NTP","MM DDY, IP (TB:ND); MM B6C3F1, IP (TB:PosHD);","Male","Mouse","micronucleus assay","bone marrow cells","Chromosome aberration","In Vivo","16.07.2010","Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes",1,"No alert found",0,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes",1,"Aliphatic halogens",1,"Aliphatic halogen",1]
["Human Health Hazards#Genetic Toxicity","Micronucleus ISSMIC","High Quality","NO","Romualdo Benigni","BMMM(3) B6C3F1, IP (TB:Neg);","Negative","NTP","MM B6C3F1, IP (TB:Neg);","Male","Mouse","micronucleus assay","bone marrow cells","Chromosome aberration","In Vivo","16.07.2010","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"No alert found",0,"Structural alert for nongenotoxic carcinogenicity|Substituted n-alkylcarboxylic acids (Nongenotox)",1,"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["Human Health Hazards#Genetic Toxicity","Micronucleus ISSMIC","High Quality","NO","Romualdo Benigni",null,"Negative","NTP","MM B6C3F1, IP (TB:Pos);","Male","Mouse","micronucleus assay","bone marrow cells","Chromosome aberration","In Vivo","16.07.2010","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Alkyl phenols|SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic azo",1,"Aromatic diazo (Genotox)|Aromatic N-acyl amine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aromatic diazo|Aromatic N-acyl amine",1,"Aromatic diazo|Aromatic N-acyl amine|H-acceptor-path3-H-acceptor",1]
["Human Health Hazards#Genetic Toxicity","Micronucleus ISSMIC","High Quality","NO","Romualdo Benigni",null,"Negative","NTP","RM Fischer 344, IP (TB:Pos);","Male","Rat","micronucleus assay","bone marrow cells","Chromosome aberration","In Vivo","16.07.2010","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0]
["Human Health Hazards#Genetic Toxicity","Micronucleus ISSMIC","N/A","YES","Romualdo Benigni",null,"Negative","NTP","RM F344/N, Oral (TB:Pos1D)","Male","Rat","micronucleus assay","bone marrow cells","Chromosome aberration","In Vivo","16.07.2010","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["Human Health Hazards#Genetic Toxicity","Micronucleus ISSMIC","High Quality","NO","Romualdo Benigni",null,"Negative","NTP","MM B6C3F1, IP (TB:PosHD);","Male","Mouse","micronucleus assay","bone marrow cells","Chromosome aberration","In Vivo","16.07.2010","No alert found",0,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Secondary aromatic amine",1,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0]
["Human Health Hazards#Genetic Toxicity","Micronucleus ISSMIC","High Quality","NO","Romualdo Benigni",null,"Negative","NTP","MM B6C3F1, IP (TB:Pos);","Male","Mouse","micronucleus assay","bone marrow cells","Chromosome aberration","In Vivo","16.07.2010","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Alkyl phenols|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["Human Health Hazards#Genetic Toxicity","Micronucleus ISSMIC","High Quality","NO","Romualdo Benigni",null,"Negative","NTP","MM B6C3F1, Gavage (TB:Neg); RM Fischer 344, Gavage (TB:Pos);","Male","Rat","micronucleus assay","bone marrow cells","Chromosome aberration","In Vivo","16.07.2010","No alert found",0,"No alert found",0,"Pentachloro phenol (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"No alert found",0]
["Human Health Hazards#Genetic Toxicity","Micronucleus ISSMIC","High Quality","NO","Romualdo Benigni",null,"Equivocal","NTP","MM B6C3F1, IP (TB:Neg); RM Fischer 344, IP (TB:PosHD);","Male","Rat","micronucleus assay","bone marrow cells","Chromosome aberration","In Vivo","16.07.2010","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Nitro-aromatic",1,"Nitro-aromatic",1]
["Human Health Hazards#Genetic Toxicity","Micronucleus ISSMIC","High Quality","NO","Romualdo Benigni",null,"Negative","NTP","MM B6C3F1, IP (TB:PosHD); RM Fischer 344, IP (TB:Neg);","Male","Mouse","micronucleus assay","bone marrow cells","Chromosome aberration","In Vivo","16.07.2010","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Nitro-aromatic",1,"Nitro-aromatic",1]
["Human Health Hazards#Genetic Toxicity","Micronucleus ISSMIC","High Quality","NO","Romualdo Benigni",null,"Negative","NTP","MM B6C3F1, IP (TB:Neg); RM Fischer 344, IP (TB:Pos1D);","Male","Rat","micronucleus assay","bone marrow cells","Chromosome aberration","In Vivo","16.07.2010","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["Human Health Hazards#Genetic Toxicity","Micronucleus ISSMIC","High Quality","NO","Romualdo Benigni",null,"Negative","NTP","MM B6C3F1, Oral (TB:Pos); MF B6C3F1, Oral (TB:PosHD);","Male","Mouse","micronucleus assay","peripheral blood","Chromosome aberration","In Vivo","16.07.2010","SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> N-hydroxylamines",1,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["Human Health Hazards#Genetic Toxicity","Micronucleus ISSMIC","High Quality","NO","Romualdo Benigni",null,"Negative","NTP","MM B6C3F1, IP(TB:Pos);","Male","Mouse","micronucleus assay","bone marrow cells","Chromosome aberration","In Vivo","16.07.2010","SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> N-hydroxylamines",1,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["Human Health Hazards#Genetic Toxicity","Micronucleus ISSMIC","High Quality","NO","Romualdo Benigni",null,"Negative","NTP","MM B6C3F1, IP (TB:Pos);","Male","Mouse","micronucleus assay","bone marrow cells","Chromosome aberration","In Vivo","16.07.2010","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0]
["Human Health Hazards#Genetic Toxicity","Micronucleus ISSMIC","High Quality","NO","Romualdo Benigni",null,"Negative","NTP","MM B6C3F1, IP (TB:Pos);","Male","Mouse","micronucleus assay","bone marrow cells","Chromosome aberration","In Vivo","16.07.2010","No alert found",0,"No alert found",0,"Simple aldehyde (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Simple aldehyde",1,"H-acceptor-path3-H-acceptor|Simple aldehyde",1]
["Human Health Hazards#Genetic Toxicity","Micronucleus ISSMIC","High Quality","NO","Romualdo Benigni",null,"Negative","NTP","MM B6C3F1, IP (TB:Pos1D);","Male","Mouse","micronucleus assay","bone marrow cells","Chromosome aberration","In Vivo","16.07.2010","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones",1,"Simple aldehyde (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Simple aldehyde",1,"H-acceptor-path3-H-acceptor|Simple aldehyde",1]
["Human Health Hazards#Genetic Toxicity","Micronucleus ISSMIC","High Quality","NO","Romualdo Benigni",null,"Positive","NTP","MM B6C3F1, IP (TB:Pos); RM F344/N, IP (TB:Pos);","Male","Mouse","micronucleus assay","bone marrow cells","Chromosome aberration","In Vivo","16.07.2010","No alert found",0,"No alert found",0,"Imidazole, benzimidazole (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["Human Health Hazards#Genetic Toxicity","Micronucleus ISSMIC","High Quality","NO","Romualdo Benigni",null,"Positive","CCRIS & NTP","MM B6C3F1, IP (TB:Pos);","Male","Mouse","micronucleus assay","bone marrow cells","Chromosome aberration","In Vivo","16.07.2010","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"Primary aromatic amine, hydroxyl amine and its derived esters",1]
["Human Health Hazards#Genetic Toxicity","Micronucleus ISSMIC","High Quality","NO","Romualdo Benigni",null,"Negative","CCRIS & NTP","MM DDY, IP (TB:ND); MM B6C3F1, IP (TB:Pos);","Male","Mouse","micronucleus assay","bone marrow cells","Chromosome aberration","In Vivo","16.07.2010","Michael addition|Michael addition >> alpha, beta-unsaturated carabonyl compounds|Michael addition >> alpha, beta-unsaturated carabonyl compounds >> Alpha, Beta-Unsaturated Aldehydes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Alpha, Beta-Unsaturated Aldehydes",1,"No alert found",0,"No alert found",0,"Michael addition|Michael addition >> alpha, beta-unsaturated carabonyl compounds|Michael addition >> alpha, beta-unsaturated carabonyl compounds >> Alpha, Beta-Unsaturated Aldehydes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Alpha, Beta-Unsaturated Aldehydes",1,"No alert found",0,"No alert found",0]
["Human Health Hazards#Genetic Toxicity","Micronucleus ISSMIC","High Quality","NO","Romualdo Benigni",null,"Inconclusive","NTP","PBMM(1) Tg.AC, Dermal (TB:PosHD); PBMF(1) Tg.AC, Dermal (TB:PosHD);","Male","Mouse","micronucleus assay","peripheral blood genetically modified","Chromosome aberration","In Vivo","16.07.2010","No alert found",0,"Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated esters",1,"Structural alert for nongenotoxic carcinogenicity|Substituted n-alkylcarboxylic acids (Nongenotox)",1,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["Human Health Hazards#Genetic Toxicity","Micronucleus ISSMIC","High Quality","NO","Romualdo Benigni",null,"Negative","NTP","MM B6C3F1, IP (TB:Pos);","Male","Mouse","micronucleus assay","bone marrow cells","Chromosome aberration","In Vivo","16.07.2010","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0]
["Human Health Hazards#Genetic Toxicity","Micronucleus ISSMIC","High Quality","NO","Romualdo Benigni",null,"Negative","NTP","MM B6C3F1, IP (TB:Neg); RM Fischer 344, IP (TB:Pos);","Male","Rat","micronucleus assay","bone marrow cells","Chromosome aberration","In Vivo","16.07.2010","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0]
["Human Health Hazards#Genetic Toxicity","Micronucleus ISSMIC","High Quality","NO","Romualdo Benigni",null,"Inconclusive","NTP","MM B6C3F1, Inh (TB:ND); MF B6C3F1, Inh (TB:ND); MF MICE, Inh (TB:Neg);","Female","Mouse","micronucleus assay","peripheral blood","Chromosome aberration","In Vivo","16.07.2010","No alert found",{"$f":"IF(Q65=\"No alert found\",0,1)","v":0},"No alert found",{"$f":"IF(S65=\"No alert found\",0,1)","v":0},"No alert found",{"$f":"IF(U65=\"No alert found\",0,1)","v":0},"No alert found",0,"No alert found",{"$f":"IF(Y65=\"No alert found\",0,1)","v":0},"No alert found",{"$f":"IF(AA65=\"No alert found\",0,1)","v":0}]
["Human Health Hazards#Genetic Toxicity","Micronucleus ISSMIC","High Quality","NO","Romualdo Benigni",null,"Positive","NTP","RM Fischer 344, Gavage (TB:Pos);","Male","Rat","micronucleus assay","bone marrow cells","Chromosome aberration","In Vivo","16.07.2010","Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Specific Acetate Esters|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Specific Acetate Esters|SN2|SN2 >> Acylating agents|SN2 >> Acylating agents >> Specific Acetate Esters|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Specific Acetate Esters",1,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["Human Health Hazards#Genetic Toxicity","Micronucleus ISSMIC","High Quality","NO","Romualdo Benigni",null,"Negative","NTP","MM B6C3F1,  IP (TB:Pos);","Male","Mouse","micronucleus assay","bone marrow cells","Chromosome aberration","In Vivo","16.07.2010","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["Human Health Hazards#Genetic Toxicity","Micronucleus ISSMIC","N/A","YES","Romualdo Benigni",null,"Negative","NTP","MM B6C3F1, IP (TB:Pos);","Male","Mouse","micronucleus assay","bone marrow cells","Chromosome aberration","In Vivo","16.07.2010","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Alkyl phenols|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["Human Health Hazards#Genetic Toxicity","Micronucleus ISSMIC","High Quality","NO","Romualdo Benigni",null,"Negative","NTP","MM B6C3F1, IP (TB:Pos1D); RM Fischer 344, IP (TB:Pos);","Male","Mouse","micronucleus assay","bone marrow cells","Chromosome aberration","In Vivo","16.07.2010","No alert found",0,"Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated esters",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["Human Health Hazards#Genetic Toxicity","Micronucleus ISSMIC","High Quality","NO","Romualdo Benigni",null,"Positive","NTP","MM B6C3F1, IP (TB:Pos); MF B6C3F1, IP (TB:PosHD); RM Fischer 344, IP (TB:Pos1D);","Male","Mouse","micronucleus assay","bone marrow cells","Chromosome aberration","In Vivo","16.07.2010","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones",1,"No alert found",0,"Quinones (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones",1,"Quinones",1,"H-acceptor-path3-H-acceptor|Quinones",1]
["Human Health Hazards#Genetic Toxicity","Micronucleus ISSMIC","High Quality","NO","Romualdo Benigni",null,"Negative","NTP","RM Fischer 344, IP (TB:Pos1D);","Male","Rat","micronucleus assay","bone marrow cells","Chromosome aberration","In Vivo","16.07.2010","No alert found",0,"Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated ketones",1,"alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"alpha,beta-unsaturated carbonyls",1,"alpha,beta-unsaturated carbonyls",1]
["Human Health Hazards#Genetic Toxicity","Micronucleus ISSMIC","High Quality","NO","Romualdo Benigni",null,"Negative","NTP","MM B6C3F1, IP (TB:Pos);","Male","Mouse","micronucleus assay","bone marrow cells","Chromosome aberration","In Vivo","16.07.2010","Elimination (E2)|Elimination (E2) >> E2 elimination reaction with epoxide formation|Elimination (E2) >> E2 elimination reaction with epoxide formation >> Haloalcohols|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Haloalcohols",1,"SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides",1,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Elimination (E2)|Elimination (E2) >> E2 elimination reaction with epoxide formation|Elimination (E2) >> E2 elimination reaction with epoxide formation >> Haloalcohols|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Haloalcohols",1,"Aliphatic halogens",1,"Aliphatic halogen|H-acceptor-path3-H-acceptor",1]
["Human Health Hazards#Genetic Toxicity","Micronucleus ISSMIC","High Quality","NO","Romualdo Benigni",null,"Negative","NTP","MM B6C3F1, IP (TB:Pos)","Male","Mouse","micronucleus assay","bone marrow cells","Chromosome aberration","In Vivo","16.07.2010","No alert found",0,"Schiff base formers|Schiff base formers >> Direct Acting Schiff Base Formers|Schiff base formers >> Direct Acting Schiff Base Formers >> Mono aldehydes",1,"Simple aldehyde (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Simple aldehyde",1,"Simple aldehyde",1]
["Human Health Hazards#Genetic Toxicity","Micronucleus ISSMIC","Moderate Quality, Conflict","NO","Romualdo Benigni",null,"Positive","NTP","MM B6C3F1, Gavage (TB:Pos);","Male","Mouse","micronucleus assay","bone marrow cells","Chromosome aberration","In Vivo","16.07.2010","No alert found",0,"No alert found",0,"Halogenated PAH (naphthalenes, biphenyls, diphenyls) (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"1-phenoxy-benzene",1]
["Human Health Hazards#Genetic Toxicity","Micronucleus ISSMIC","High Quality","NO","Romualdo Benigni",null,"Negative","NTP","MM B6C3F1, Dermal (TB:Neg); MF B6C3F1, Dermal (TB:Neg); RM Fischer 344,, Dermal (TB:PosHD);","Male","Rat","micronucleus assay","bone marrow cells","Chromosome aberration","In Vivo","16.07.2010","SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Heteroatom",1,"SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides",1,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aliphatic halogens",1,"Aliphatic halogen",1]
["Human Health Hazards#Genetic Toxicity","Micronucleus ISSMIC","N/A","YES","Romualdo Benigni",null,"Negative","Doppalapudi R.S. et al. (2007) Mut.Res. 629:148-160","MM Swiss Webster, Oral (TB:Pos); MF Swiss Webster, Oral (TB:Pos1D);","Male","Mouse","micronucleus assay","bone marrow cells","Chromosome aberration","In Vivo","16.07.2010","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0]
["Human Health Hazards#Genetic Toxicity","Micronucleus ISSMIC","High Quality","NO","Romualdo Benigni",null,"Negative","NTP","RM Fischer 344, IP(TB:PosHD);","Male","Rat","micronucleus assay","bone marrow cells","Chromosome aberration","In Vivo","16.07.2010","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["Human Health Hazards#Genetic Toxicity","Micronucleus ISSMIC","High Quality","NO","Romualdo Benigni",null,"Negative","NTP","MM B6C3F1, IP (TB:Pos);","Male","Mouse","micronucleus assay","bone marrow cells","Chromosome aberration","In Vivo","16.07.2010","Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Dicarbonyl Compounds",1,"Schiff base formers|Schiff base formers >> Direct Acting Schiff Base Formers|Schiff base formers >> Direct Acting Schiff Base Formers >> Alpha-beta-dicarbonyl",1,"No alert found",0,"Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Dicarbonyl Compounds",1,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["Human Health Hazards#Genetic Toxicity","Micronucleus ISSMIC","High Quality","NO","Romualdo Benigni",null,"Negative","NTP","MM B6C3F1, IP (TB:Pos); RM Fischer 344, IP (TB:Neg);","Male","Mouse","micronucleus assay","bone marrow cells","Chromosome aberration","In Vivo","16.07.2010","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["Human Health Hazards#Genetic Toxicity","Micronucleus ISSMIC","High Quality","NO","Romualdo Benigni",null,"Negative","NTP","MM B6C3F1, IP (TB:Pos1D);","Male","Mouse","micronucleus assay","bone marrow cells","Chromosome aberration","In Vivo","16.07.2010","Radical|Radical >> Generation of reactive oxygen species|Radical >> Generation of reactive oxygen species >> Coumarins|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Coumarins",1,"SN2|SN2 >> P450 Mediated Epoxidation|SN2 >> P450 Mediated Epoxidation >> Coumarins",1,"Coumarins and Furocoumarins (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Generation of reactive oxygen species|Radical >> Generation of reactive oxygen species >> Coumarins|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Coumarins",1,"Coumarins and Furocoumarins",1,"1,3-dialkoxy-benzene|Coumarins and Furocoumarins|H-acceptor-path3-H-acceptor",1]
["Human Health Hazards#Genetic Toxicity","Micronucleus ISSMIC","High Quality","NO","Romualdo Benigni",null,"Positive","NTP","RM F344/N, IP (TB:Pos);","Male","Rat","micronucleus assay","bone marrow cells","Chromosome aberration","In Vivo","16.07.2010","Nucleophilic addition|Nucleophilic addition >> Nucleophilic addition reaction across imine bond|Nucleophilic addition >> Nucleophilic addition reaction across imine bond >> Carbodiimides",1,"No alert found",0,"No alert found",0,"Nucleophilic addition|Nucleophilic addition >> Nucleophilic addition reaction across imine bond|Nucleophilic addition >> Nucleophilic addition reaction across imine bond >> Carbodiimides",1,"No alert found",0,"Carbodiimides",1]
["Human Health Hazards#Genetic Toxicity","Micronucleus ISSMIC","High Quality","NO","Romualdo Benigni",null,"Positive","NTP","MM B6C3F1, IP (TB:Pos);  RM Fischer 344, IP (TB:Pos);","Male","Rat","micronucleus assay","bone marrow cells","Chromosome aberration","In Vivo","16.07.2010","Nucleophilic addition|Nucleophilic addition >> Nucleophilic addition reaction across imine bond|Nucleophilic addition >> Nucleophilic addition reaction across imine bond >> Carbodiimides",1,"No alert found",0,"No alert found",0,"Nucleophilic addition|Nucleophilic addition >> Nucleophilic addition reaction across imine bond|Nucleophilic addition >> Nucleophilic addition reaction across imine bond >> Carbodiimides",1,"No alert found",0,"Carbodiimides",1]
["Human Health Hazards#Genetic Toxicity","Micronucleus ISSMIC","Moderate Quality","NO","Romualdo Benigni",null,"Negative","CCRIS","MM CD-1, IP (TB:Pos);","Male","Mouse","micronucleus assay","bone marrow cells","Chromosome aberration","In Vivo","16.07.2010","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Michael addition|Michael addition >> P450 Mediated Activation of Heterocyclic Ring Systems|Michael addition >> P450 Mediated Activation of Heterocyclic Ring Systems >> Furans",1,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0]
["Human Health Hazards#Genetic Toxicity","Micronucleus ISSMIC","N/A","YES","Romualdo Benigni",null,"Negative","Isbrucker R.A. et al. (2006) Food Chem.Toxicol. 44:626-635","MM NMRI, Gavage (TB:Pos); MM CD-1, Oral (TB:Neg); MF NMRI, Gavage (TB:Pos); MF CD-1, Oral (TB:Neg); RM SPF Wistar, IV (TB:Neg); RF SPF Wistar, IV (TB:Neg);","Male","Mouse","micronucleus assay","bone marrow cells","Chromosome aberration","In Vivo","16.07.2010","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Alkyl phenols|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["Human Health Hazards#Genetic Toxicity","Micronucleus ISSMIC","High Quality, Conflict","NO","Romualdo Benigni",null,"Negative","NTP","MM B6C3F1, IP (TB:Pos); RM Fischer 344, IP (TB:Pos);","Male","Mouse","micronucleus assay","bone marrow cells","Chromosome aberration","In Vivo","16.07.2010","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons|Primary aromatic amine,hydroxyl amine and its derived esters",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["Human Health Hazards#Genetic Toxicity","Micronucleus ISSMIC","High Quality","NO","Romualdo Benigni",null,"Negative","NTP","MM B6C3F1, Inh Gavage (TB:Neg); MF B6C3F1, Inh (TB:Pos1D);","Female","Mouse","micronucleus assay","peripheral blood","Chromosome aberration","In Vivo","16.07.2010","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0]
["Human Health Hazards#Genetic Toxicity","Micronucleus ISSMIC","High Quality","NO","Romualdo Benigni",null,"Positive","NTP","MM B6C3F1, Gavage (TB:Pos1D);","Male","Mouse","micronucleus assay","bone marrow cells","Chromosome aberration","In Vivo","16.07.2010","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary (unsaturated) heterocyclic amine",1,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0]
["Human Health Hazards#Genetic Toxicity","Micronucleus ISSMIC","High Quality","NO","Romualdo Benigni",null,"Negative","NTP","MM B6C3F1, IP (TB:Pos);","Male","Mouse","micronucleus assay","bone marrow cells","Chromosome aberration","In Vivo","16.07.2010","SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Heteroatom",1,"SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides",1,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aliphatic halogens",1,"Aliphatic halogen|H-acceptor-path3-H-acceptor",1]
["Human Health Hazards#Genetic Toxicity","Micronucleus ISSMIC","High Quality","NO","Romualdo Benigni",null,"Positive","NTP","MR Fischer 344, IP (TB:Pos1D);","Male","Rat","micronucleus assay","bone marrow cells","Chromosome aberration","In Vivo","16.07.2010","Acylation|Acylation >> Acyl transfer via nucleophilic addition reaction|Acylation >> Acyl transfer via nucleophilic addition reaction >> Haloalkenes with Electron-Withdrawing Groups|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Haloalkenes with Electron-Withdrawing Groups|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Haloalkenes with Electron-Withdrawing Groups",1,"No alert found",0,"No alert found",0,"Acylation|Acylation >> Acyl transfer via nucleophilic addition reaction|Acylation >> Acyl transfer via nucleophilic addition reaction >> Haloalkenes with Electron-Withdrawing Groups|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Haloalkenes with Electron-Withdrawing Groups|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Haloalkenes with Electron-Withdrawing Groups",1,"No alert found",0,"No alert found",0]
["Human Health Hazards#Genetic Toxicity","Micronucleus ISSMIC","Low Quality, Conflict","NO","Romualdo Benigni",null,"Negative","NTP","MM B6C3F1, IP (TB:Pos);","Male","Mouse","micronucleus assay","bone marrow cells","Chromosome aberration","In Vivo","16.07.2010","No alert found",0,"No alert found|SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine",1,"Aromatic mono-and dialkylamine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aromatic mono-and dialkylamine",1,"Aromatic mono- and dialkylamine",1]
["Human Health Hazards#Genetic Toxicity","Micronucleus ISSMIC","High Quality","NO","Romualdo Benigni",null,"Negative","CCRIS","MM, Gavage (TB:Neg); MF, Gavage (TB:PosHD);","Female","Mouse","micronucleus assay","bone marrow cells","Chromosome aberration","In Vivo","16.07.2010","SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["Human Health Hazards#Genetic Toxicity","Micronucleus ISSMIC","N/A","YES","Romualdo Benigni",null,"Negative","CCRIS","MM CD-1, Gavage (TB:Pos); MF CD-1, Gavage (TB:Pos);","Male","Mouse","micronucleus assay","bone marrow cells","Chromosome aberration","In Vivo","16.07.2010","SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines|SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides",1,"Aliphatic halogens (Genotox)|alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aliphatic halogens|alpha,beta-unsaturated carbonyls",1,"Aliphatic halogen|alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor|Oxolane",1]
["Human Health Hazards#Genetic Toxicity","Micronucleus ISSMIC","High Quality","NO","Romualdo Benigni",null,"Negative","NTP","MM B6CF1, IP (TB:Neg); RM F344, IP (TB:Pos);","Male","Rat","micronucleus assay","bone marrow cells","Chromosome aberration","In Vivo","16.07.2010","No alert found",0,"No alert found",0,"Imidazole, benzimidazole (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["Human Health Hazards#Genetic Toxicity","Micronucleus ISSMIC","High Quality","NO","Romualdo Benigni",null,"Negative","CCRIS","MM Swiss, IP (TB:Pos); MF Swiss, IP (TB:Pos);","Male","Mouse","micronucleus assay","bone marrow cells","Chromosome aberration","In Vivo","16.07.2010","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["Human Health Hazards#Genetic Toxicity","Micronucleus ISSMIC","High Quality","NO","Romualdo Benigni",null,"Positive","CCRIS","RM Sprague Dawley, Inh (TB:PosHD); RF Sprague Dawley, Inh (TB:PosHD);","Female","Rat","micronucleus assay","bone marrow cells","Chromosome aberration","In Vivo","16.07.2010","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0]
["Human Health Hazards#Genetic Toxicity","Micronucleus ISSMIC","High Quality","NO","Romualdo Benigni",null,"Negative","NTP","MM B6C3F1, IP (TB:Pos1D);","Male","Mouse","micronucleus assay","bone marrow cells","Chromosome aberration","In Vivo","16.07.2010","No alert found|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"No alert found|SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"1,3-dialkoxy-benzene|H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["Human Health Hazards#Genetic Toxicity","Micronucleus ISSMIC","High Quality, Conflict","NO","Romualdo Benigni","BMMM(1) B6C3F1, IP(TB:Pos);","Positive","NTP","MM B6C3F1, IP(TB:Pos1D);","Male","Mouse","micronucleus assay","peripheral blood","Chromosome aberration","In Vivo","16.07.2010","No alert found",0,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic azo",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["Human Health Hazards#Genetic Toxicity","Micronucleus ISSMIC","Moderate Quality","NO","Romualdo Benigni",null,"Negative","NTP","MM B6C3F1, IP (TB:Pos);","Male","Mouse","micronucleus assay","bone marrow cells","Chromosome aberration","In Vivo","16.07.2010","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0]
["Human Health Hazards#Genetic Toxicity","Micronucleus ISSMIC","High Quality","NO","Romualdo Benigni",null,"Negative","NTP & Doppalapudi R.S. et al. (2007) Mut.Res. 629:148-160","MM Swiss Webster, Oral (TB:PosHD); MF Swiss Webster, Oral (TB:PosHD); RM Fischer 344, Gavage (TB:Pos);","Male","Mouse","micronucleus assay","bone marrow cells","Chromosome aberration","In Vivo","16.07.2010","No alert found",0,"No alert found",0,"Indole-3-carbinol (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"No alert found",0]
["Human Health Hazards#Genetic Toxicity","Micronucleus ISSMIC","High Quality, Conflict","NO","Romualdo Benigni",null,"Negative","NTP","MM B6C3F1, IP (TB:Pos);","Male","Mouse","micronucleus assay","bone marrow cells","Chromosome aberration","In Vivo","16.07.2010","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"1-phenoxy-benzene|H-acceptor-path3-H-acceptor",1]
["Human Health Hazards#Genetic Toxicity","Micronucleus ISSMIC","High Quality, Conflict","NO","Romualdo Benigni",null,"Negative","CCRIS","MM Swiss, IP (TB:Pos); MF Swiss, IP (TB:Pos);","Male","Mouse","micronucleus assay","bone marrow cells","Chromosome aberration","In Vivo","16.07.2010","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["Human Health Hazards#Genetic Toxicity","Micronucleus ISSMIC","Low Quality, Conflict","NO","Romualdo Benigni",null,"Negative","NTP","BM MM B6C3F1, IP(TB:Pos1D);","Male","Mouse","micronucleus assay","bone marrow cells","Chromosome aberration","In Vivo","16.07.2010","Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Specific Acetate Esters|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Specific Acetate Esters|SN2|SN2 >> Acylating agents|SN2 >> Acylating agents >> Specific Acetate Esters|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Specific Acetate Esters",1,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["Human Health Hazards#Genetic Toxicity","Micronucleus ISSMIC","Low Quality","NO","Romualdo Benigni",null,"Negative","CCRIS & NTP","MM C57BL/6J, IP (TB:Pos);","Male","Mouse","micronucleus assay","bone marrow cells","Chromosome aberration","In Vivo","16.07.2010","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["Human Health Hazards#Genetic Toxicity","Micronucleus ISSMIC","Low Quality","NO","Romualdo Benigni",null,"Negative","CCRIS","MM CD-1, Gavage (TB:Pos); MF CD-1, Gavage (TB:Pos);","Male","Mouse","micronucleus assay","bone marrow cells","Chromosome aberration","In Vivo","16.07.2010","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["Human Health Hazards#Genetic Toxicity","Micronucleus ISSMIC","Low Quality","NO","Romualdo Benigni",null,"Negative","CCRIS","MM CD-1, Oral (TB:Pos);","Male","Mouse","micronucleus assay","bone marrow cells","Chromosome aberration","In Vivo","16.07.2010","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["Human Health Hazards#Genetic Toxicity","Micronucleus ISSMIC","N/A","YES","Romualdo Benigni",null,"Negative","NTP","MM B6C3F1, Gavage (TB:Pos); RM Fischer 344, Gavage (TB:Pos);","Male","Mouse","micronucleus assay","bone marrow cells","Chromosome aberration","In Vivo","16.07.2010","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["Human Health Hazards#Genetic Toxicity","Micronucleus ISSMIC","High Quality, Conflict","NO","Romualdo Benigni",null,"Negative","NTP","MM B6C3F1, IP (TB:Pos1D); RM Fischer 344, IP (TB:Pos);","Male","Mouse","micronucleus assay","bone marrow cells","Chromosome aberration","In Vivo","16.07.2010","No alert found",0,"No alert found|SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["Human Health Hazards#Genetic Toxicity","Micronucleus ISSMIC","Low Quality, Conflict","NO","Romualdo Benigni",null,"Negative","NTP","MM B6C3F1, Gavage (TB:Pos);","Male","Mouse","micronucleus assay","bone marrow cells","Chromosome aberration","In Vivo","16.07.2010","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["Human Health Hazards#Genetic Toxicity","Micronucleus ISSMIC","High Quality","NO","Romualdo Benigni",null,"Negative","NTP","MM B6C3F1, Gavage (TB:PosHD);","Male","Mouse","micronucleus assay","bone marrow cells","Chromosome aberration","In Vivo","16.07.2010","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0]
["Human Health Hazards#Genetic Toxicity","Micronucleus ISSMIC","High Quality","NO","Romualdo Benigni",null,"Negative","NTP","MM B6C3F1, IP (TB:Pos);","Male","Mouse","micronucleus assay","bone marrow cells","Chromosome aberration","In Vivo","16.07.2010","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones",1,"1,3-Benzodioxoles (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["Human Health Hazards#Genetic Toxicity","Micronucleus ISSMIC","Low Quality","NO","Romualdo Benigni",null,"Negative","NTP","MM B6C3F1, Gavage (TB:PosHD);","Male","Mouse","micronucleus assay","bone marrow cells","Chromosome aberration","In Vivo","16.07.2010","No alert found",0,"No alert found|SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["Human Health Hazards#Genetic Toxicity","Micronucleus ISSMIC","High Quality","NO","Romualdo Benigni",null,"Negative","NTP","MM B6C3F1, Gavage (TB:Pos1D);","Male","Mouse","micronucleus assay","bone marrow cells","Chromosome aberration","In Vivo","16.07.2010","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["Human Health Hazards#Genetic Toxicity","Micronucleus ISSMIC","N/A","YES","Romualdo Benigni",null,"Negative","NTP","MM B6C3F1, Gavage (TB:Pos1D);","Male","Mouse","micronucleus assay","bone marrow cells","Chromosome aberration","In Vivo","16.07.2010","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"No alert found",0,"Imidazole, benzimidazole (Nongenotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"No alert found",0,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"H-acceptor-path3-H-acceptor|Oxolane|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["Human Health Hazards#Genetic Toxicity","Micronucleus ISSMIC","N/A","YES","Romualdo Benigni",null,"Negative","NTP","MM B6C3F1, Gavage (TB:Pos);","Male","Mouse","micronucleus assay","bone marrow cells","Chromosome aberration","In Vivo","16.07.2010","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic azo|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["Human Health Hazards#Genetic Toxicity","Micronucleus ISSMIC","N/A","YES","Romualdo Benigni",null,"Negative","Doppalapudi R.S. et al. (2007) Mut.Res. 629:148-160","MM Swiss Webster, Oral (TB:Pos); MF Swiss Webster, Oral (TB:Neg);","Male","Mouse","micronucleus assay","bone marrow cells","Chromosome aberration","In Vivo","16.07.2010","No alert found",0,"No alert found",0,"Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["Human Health Hazards#Genetic Toxicity","Micronucleus ISSMIC","N/A","YES","Romualdo Benigni",null,"Negative","Doppalapudi R.S. et al. (2007) Mut.Res. 629:148-160","MM Swiss Webster, Oral (TB:ND); Swiss Webster, Oral (TB:Pos1D);","Female","Mouse","micronucleus assay","bone marrow cells","Chromosome aberration","In Vivo","16.07.2010","No alert found",0,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"Steroidal estrogens (nongenotoxic & genotoxic)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["Human Health Hazards#Genetic Toxicity","Micronucleus ISSMIC","N/A","YES","Romualdo Benigni",null,"Negative","Doppalapudi R.S. et al. (2007) Mut.Res. 629:148-160","MM Swiss Webster, Oral (TB:ND); MF Swiss Webster, Oral (TB:PosHD);","Female","Mouse","micronucleus assay","bone marrow cells","Chromosome aberration","In Vivo","16.07.2010","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["Human Health Hazards#Genetic Toxicity","Micronucleus ISSMIC","Low Quality, Conflict","NO","Romualdo Benigni",null,"Negative","NTP","RM Fischer 344, IP (TB:Pos);","Male","Rat","micronucleus assay","bone marrow cells","Chromosome aberration","In Vivo","16.07.2010","No alert found",0,"No alert found|SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine",1,"Aromatic mono-and dialkylamine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aromatic mono-and dialkylamine",1,"Aromatic mono- and dialkylamine|H-acceptor-path3-H-acceptor",1]

{"sheet":"OASIS_micronucleus","index":5,"n_rows":262,"n_cols":35,"rows_kept":262}
["CAS","NAME","SMILES","Data","Unit","Duration","Endpoint","Endpoint description","Endpoint position","Database name","QA (CAS-2D)","Assigned SMILES","Author","Comment","Reference source","Test type","Title","Type of genotoxicity","Type of method","Year","Database Link","Test organisms (species)","Tissue","DNA binding by OASIS v.1.1","Score","DNA binding by OECD","Score","Carcinogenicity (genotox and nongenotox) alerts by ISS","Score","DNA alerts for AMES, MN and CA by OASIS v.1.1","Score","in vitro mutagenicity (Ames test) alerts by ISS","Score","in vivo mutagenicity (Micronucleus) alerts by ISS","Score"]
["50-32-8","benzo(a)pyrene;benzo[a]pyrene;benzopyrene;3,4-\"\";3,4-\";benzo[def]chrysene;benzo(a)pyrene (bap);benzo[pqr]tetraphene;benzo[def]chrysene(benzo[a]pyrene)","c12c3c4c(c5c(cc4ccc3ccc1)cccc5)cc2","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO","Bruce, W. R. & Heddle, J. A.","Honma Masamitsu","Can. J. Genet. Cytol., 21, 319-334","micronucleus assay","The mutagenic activity of 61 agents as determined by the micronucleus, Salmonella, and sperm abnormality assays","Chromosome aberration","In Vivo",1979,{"$nulls":3},"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",{"$f":"IF(X2=\"No alert found\",0,1)","v":1},"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition|SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1",{"$f":"IF(Z2=\"No alert found\",0,1)","v":1},"Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",{"$f":"IF(AB2=\"No alert found\",0,1)","v":1},"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",{"$f":"IF(AD2=\"No alert found\",0,1)","v":1},"Polycyclic Aromatic Hydrocarbons",{"$f":"IF(AF2=\"No alert found\",0,1)","v":1},"Polycyclic Aromatic Hydrocarbons",{"$f":"IF(AH2=\"No alert found\",0,1)","v":1}]
["53-96-3","2-acetylaminofluorene;n-2-fluorenylacetamide;2-acetylaminofluorene [2-acetaminofluorene] [2,fluorenyl acetamide (2-faa)];n-fluoren-2-ylacetamide;2-acetylaminofluorene (2-aaf);acetamide, n-9h-fluoren-2-yl-;n-(9h-fluoren-2-yl)acetamide;n-9h-fluoren-2-ylacetamide","c12-c3c(cc(NC(C)=O)cc3)Cc1cccc2","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO","Collaborative Study Group","Honma Masamitsu","Mutat Res, 234, 205-222","micronucleus assay","Single versus multiple dosing in the micronucleus test: the summary of the fourth collaborative study by CSGMT/JEMS MMS","Chromosome aberration","In Vivo",1990,{"$nulls":3},"No alert found",0,"No alert found",0,"Aromatic N-acyl amine (Genotox)|Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aromatic N-acyl amine|Polycyclic Aromatic Hydrocarbons",1,"Aromatic N-acyl amine|H-acceptor-path3-H-acceptor|Polycyclic Aromatic Hydrocarbons",1]
["55-21-0","benzamide","C(N)(=O)c1ccccc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO",null,"Genetic Toxicology Data Bank (GENE-TOX)","Mutat Res 192:141-143","micronucleus assay",null,"Chromosome aberration","In Vivo",1987,"http://toxnet.nlm.nih.gov/cgi-bin/sis/htmlgen?GENETOX","Mammalia","polychromatic erythrocytes","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["56-53-1","diethylstilbestrol;des;diethylstilbestrol (des);diethylstilbesterol;phenol, 4,4'-[(1e)-1,2-diethyl-1,2-ethenediyl]bis-;4,4'-(3e)-hex-3-ene-3,4-diyldiphenol;phenol, 4,4'-(1,2-diethyl-1,2-ethenediyl)bis-, (e)-;4,4'-[(1e)-1,2-diethyl-1,2-ethenediyl]bisphenol;4,4'-stilbenediol, alpha,alpha'-diethyl-, (e)- (8ci);diethylstilbestrol [usan:inn]","c1(C(=C(c2ccc(O)cc2)CC)CC)ccc(O)cc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO",null,"Genetic Toxicology Data Bank (GENE-TOX)","Mutat Res 123:61-118","micronucleus assay",null,"Chromosome aberration","In Vivo",1983,"http://toxnet.nlm.nih.gov/cgi-bin/sis/htmlgen?GENETOX","Mammalia","polychromatic erythrocytes","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0]
["56-55-3","benz(a)anthracene;benz[a]anthracene;benzo(a)anthracene;benzo[a]anthracene;tetraphene","c12c(c3c(cc4c(cccc4)c3)cc1)cccc2","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO","Peter, S., Palme, G. E., & Rohrborn, G.","Honma Masamitsu","Acta Morphol. Acad. Sci. Hung, 27, 199-204","micronucleus assay","Mutagenicity of polycyclic hydrocarbons III. Monitoring genetic hazards of benz(a)anthracene","Chromosome aberration","In Vivo",1979,{"$nulls":3},"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition|SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1",1,"Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1]
["58-08-2","caffeine;1,3,7-trimethyl-3,7-dihydro-purine-2,6-dione;1h-purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-;1,3,7-trimethyl-3,7-dihydro-1h-purine-2,6-dione;3,7-dihydro-1,3,7-trimethyl-1h-pyrine-2,6-dione","C1(=O)C2=C(N(C)C(=O)N1C)N=CN2C","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO","King, M. T., Beikirch, H., Eckhardt, K., Gocke, E., & Wild, D.","Honma Masamitsu","Mutation Research","micronucleus assay","Mutagenicity studies with X-ray-contrast media, analgesics, antipyretics, antirheumatics and some other pharmaceutical drugs in bacterial, Drosophila and mammalian test systems","Chromosome aberration","In Vivo",1979,{"$nulls":3},"SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["59-89-2","morpholine;n-nitrosomorpholine;nitrosomorpholine;4-nitrosomorpholine;morpholine, n-nitroso-;59-89-2;<i>n</i>-nitroso","C1CN(N=O)CCO1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO","Morita, T., Asano, N., Awogi, T., Sasaki, Y. F., Sato, S., Shimada, H., Sutou, S., Suzuki, T., Wakata, A., Sofuni, T., & Hayashi, M.","Honma Masamitsu",null,"micronucleus assay","Evaluation of the rodent micronucleus assay in the screening of IARC carcinogens (Groups 1, 2A and 2B). The summar","Chromosome aberration","In Vivo",1997,{"$nulls":3},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2",1,"Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"Alkyl and aryl N-nitroso groups",1,"Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor",1]
["62-44-2","n-(4-ethoxyphenyl)acetamide;n-acetyl-4-ethoxyaniline;4-ethoxyaniline;phenacetin;p-phenacetin;acetamide, n-(4-ethoxyphenyl)-;4-ethoxyacetanilide;acetophenetidin;p-acetophenetidide;n-[4-(ethyloxy)phenyl]acetamide;acetamide, n-(4-ethoxyphenol)-;62-44-2;<i>n</i>-ac","c1(OCC)ccc(NC(C)=O)cc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO","King, M. T., Beikirch, H., Eckhardt, K., Gocke, E., & Wild, D.","Honma Masamitsu","Mutation Research","micronucleus assay","Mutagenicity studies with X-ray-contrast media, analgesics, antipyretics, antirheumatics and some other pharmaceutical drugs in bacterial, Drosophila and mammalian test systems","Chromosome aberration","In Vivo",1979,{"$nulls":3},"No alert found",0,"No alert found",0,"Aromatic N-acyl amine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aromatic N-acyl amine",1,"Aromatic N-acyl amine|H-acceptor-path3-H-acceptor",1]
["62-53-3","aniline;phenylamine;benzenamine;aniline,itssaltsanditshalogenatedandsulphonatedderivatives;62-53-3","c1(N)ccccc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO","Ress,Nb Witt,Kl Xu,J Haseman,Jk And Bucher,Jr;","Romualdo Benigni","Mutat. Res. 521:201-208","micronucleus assay","Micronucleus Induction In Mice Exposed To Diazominobenzene Or Its Metabolites, Benzene And Aniline: Implications For Diazoaminobenzene Carcinogenicity","Chromosome aberration","In Vivo",2002,"CCRIS & NTP","Mouse","bone marrow cells","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"Primary aromatic amine, hydroxyl amine and its derived esters",1]
["97-74-5","bis(dimethylthiocarbamyl)sulfide;tetramethylthiuram monosulfide;tetramethylthiuram;tetramethylthiuram monosulphide;thiodicarbonic diamide ([(h2n)c(s)]2s), tetramethyl-;thiodicarbonic diamide, tetramethyl-;sulfide, bis(dimethylthiocarbamoyl);thiodicarbonic diamide, (Х(h2n)c(s)е2s), tetramethyl-;n,n,n',n'-tetramethyldicarbonotrithioic diamide;thiurammonosulphides;thiodicarbonic diamide (((h2n)c(s))2s), tetramethyl-;97-74-5","C(=S)(N(C)C)SC(=S)N(C)C","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO",null,"Genetic Toxicology Data Bank (GENE-TOX)","Scand J Work Environ Health 9(Suppl 2):27-37","micronucleus assay",null,"Chromosome aberration","In Vivo",1983,"http://toxnet.nlm.nih.gov/cgi-bin/sis/htmlgen?GENETOX","Mammalia","polychromatic erythrocytes","No alert found",0,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["1912-24-9","atrazine;6-chloro-n-ethyl-n'-isopropyl-[1,3,5]triazine-2,4-diamine;1,3,5-triazine-2,4-diamine, 6-chloro-n2-ethyl-n4-(1-methylethyl)-;1,3,5-triazine-2,4-diamine, 6-chloro-n-ethyl-n-(1-methylethyl)-;s-triazine, 2-chloro-4-(ethylamino)-6-(isopropylamino)-;1,3,5-triazine-2,4-diamine, 6-chloro-n-ethyl-n'-(1-methylethyl)-;1,3,5-triazine-2,4-diamine, 6-chloro-n-ethyl-n’-(1-methylethyl)-;6-chloro-n-ethyl-n'-isopropyl-1,3,5-triazine-2,4-diamine;6-chloro-n-ethyl-n'-(1-methylethyl)-1,3,5-triazine-2,4-diamine;atrazine technical;atrazine (endocrine effects study-special);atrazine 4l;atrazine g28279 degradate;atrazine g28273 degradate;atrazine (solution concentrate)","c1(Cl)nc(NCC)nc(NC(C)C)n1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO","Gebel, T., Kevekordes, S., Pav, K., Edenharder, R., & Dunkelberg, H.","Honma Masamitsu","Arch Toxicol, 71, 193-197","micronucleus assay","In vivo genotoxicity of selected herbicides in the mouse bone-marrow micronucleus test","Chromosome aberration","In Vivo",1997,{"$nulls":3},"No alert found",0,"No alert found",0,"Aromatic mono-and dialkylamine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aromatic mono-and dialkylamine",1,"Aromatic mono- and dialkylamine",1]
["15972-60-8","alachlor;2-chloro-n-(2,6-diethylphenyl)-n-(methoxymethyl)acetamide;acetamide, 2-chloro-n-(2,6-diethylphenyl)-n-(methoxymethyl)-;alachlor(iso);alachlor (sulfonic acid degradate);alachlor (oxanilic acid degradate);alachlor (sulfonic acid degrad);acetamide, 2-chloro-n-(2,6-diethylphenyl)-n-(methoxymethyl)- (9ci);15972-60-8","c1(CC)c(N(C(=O)CCl)COC)c(CC)ccc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO","Georgian L, Moraru I, Draghicescu T, Dinu I, Ghizelea G","Edward D. Thompson,Comparison of In Vivo and In Vitro Cytogenetic Assay Results,Environmental Mutagenesis 8:753-767,1986","Mutation Res., 116, 341-348","micronucleus assay","Cytogenetic effects of alachlor and mancozeb","Chromosome aberration","In Vivo",1983,null,"Rat","bone marrow cells","No alert found",0,"No alert found",0,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aliphatic halogens",1,"Aliphatic halogen|H-acceptor-path3-H-acceptor",1]
["17804-35-2","benomyl;carbamic acid, [1-[(butylamino)carbonyl]-1h-benzimidazol-2-yl]-, methyl ester;2-benzimidazolecarbamic acid, 1-(butylcarbamoyl)-, methyl ester;carbamic acid, Х1-Х(butylamino)carbonylе-1h-benzimidazol-2-ylе-, methyl ester;methyl [1-(butylcarbamoyl)-1h-benzimidazol-2-yl]carbamate;[1-[(butylamino)carbonyl]-1h-benzimidazol-2-yl]carbamic acid, methyl ester;carbamic acid, (1-((butylamino)carbonyl)-1h-benzimidazol-2-yl)-, methyl ester;17804-35-2","c12c(cccc1)N(C(=O)NCCCC)C(NC(=O)OC)=N2","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO","Jones, D. C. L., Simmon, V. F., Mortelmans, K. E., Mitchell, A. D., Evans, E. L., Jotz, M. M., Riccio, E. S., Robinson, D. E., & Kirkland, B. A.","Honma Masamitsu","U.S. EPA report EPA-600/1-84-00","micronucleus assay","In vitro and in vivo mutagenicity studies of environmental chemicals","Chromosome aberration","In Vivo",1984,{"$nulls":3},"SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"No alert found",0,"Alkyl carbamate and thiocarbamate (Genotox)|Imidazole, benzimidazole (Nongenotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"No alert found",0,"Alkyl carbamate and thiocarbamate",1,"Alkyl carbamate and thiocarbamate|H-acceptor-path3-H-acceptor",1]
["103-33-3","azobenzene;aminoazobenzene;diazene, diphenyl-;(e)-diphenyldiazene;103-33-3","c1(N=Nc2ccccc2)ccccc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","N/A","YES","George, E, Andrews, M, & Westmoreland, C","Honma Masamitsu","Carcinogenesis, Sep;11-9:1551-6","micronucleus assay","Effects of azobenzene and aniline in the rodent bone marrow micronucleus test","Chromosome aberration","In Vivo",1990,{"$nulls":3},"No alert found",0,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic azo",1,"Aromatic diazo (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aromatic diazo",1,"Aromatic diazo|H-acceptor-path3-H-acceptor",1]
["50-02-2","dexamethasone;dexamethazone;dexamethasone (dex);pregna-1,4-diene-3,20-dione, 9-fluoro-11,17,21-trihydroxy-16-methyl-, (11.beta.,16.alpha.)-;(11beta,16alpha)-9-fluoro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione;9-fluoro-11,17,21-trihydroxy-16-methyl-11beta,16alpha-pregna-4-ene-3,20-dione;pregna-1,4-diene-3,20-dione, 9-fluoro-11,17,21-trihydroxy-16-methyl-, (11beta,16alpha)-","C(=O)(C1(O)C2(C)C(C3C(F)(C4(C)C(=CC(=O)C=C4)CC3)C(O)C2)CC1C)CO","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","N/A","YES","Singh,H, Singh,JR, Dhillon,VS, Bali,D and Paul,H","Romualdo Benigni","Mutation Res.. 308 (1), 89-97","micronucleus assay","In Vitro and in Vivo Genotoxicity Evaluation of Hormonal Drugs II. Dexamethasone","Chromosome aberration","In Vivo",1994,"CCRIS","Mouse","bone marrow cells","No alert found",0,"Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated ketones",1,"(Poly) Halogenated Cycloalkanes (Nongenotox)|alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for nongenotoxic carcinogenicity|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"No alert found",0,"alpha,beta-unsaturated carbonyls",1,"alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor",1]
["103-84-4","acetanilide;acetamide, n-phenyl-;n-acetylaniline;n-phenylacetamide;antifebrin;103-84-4","c1(NC(C)=O)ccccc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO","Kawachi T, Yahagi T, Kada T, Tazima Y, Ishidate M, Sasaki M, Sugiyama T","Edward D. Thompson,Comparison of In Vivo and In Vitro Cytogenetic Assay Results,Environmental Mutagenesis 8:753-767,1986","Montesano R, Bartsch H, andTomatis L ,Molecular and Cellular Aspects of Carcinogen Screening T( 4s)","micronucleus assay","Cooperativeprogramme on short-term assays for carcinogenicity in Japan","Chromosome aberration","In Vivo",1980,null,"Rat","bone marrow cells","No alert found",0,"No alert found",0,"Aromatic N-acyl amine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aromatic N-acyl amine",1,"Aromatic N-acyl amine|H-acceptor-path3-H-acceptor",1]
["495-48-7","azoxybenzene;diazene, diphenyl-, 1-oxide;[(z)-phenyl-nno-azoxy]benzene;diphenyldiazene, 1-oxide;495-48-7","c1(N=N(=O)c2ccccc2)ccccc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO",null,"Genetic Toxicology Data Bank (GENE-TOX)","Mutat Res 123:61-118","micronucleus assay",null,"Chromosome aberration","In Vivo",1983,"http://toxnet.nlm.nih.gov/cgi-bin/sis/htmlgen?GENETOX","Mammalia","polychromatic erythrocytes","No alert found",0,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic azo",1,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0]
["136-40-3","phenazopyridine.hcl;phenazopyridine hydrochloride [usan];2,6-pyridinediamine, 3-(phenylazo)-, monohydrochloride;3-[(e)-phenyldiazenyl]pyridine-2,6-diamine hydrochloride","c1(N)c(N=Nc2ccccc2)ccc(N)n1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","Moderate Quality, Conflict","NO","Morita, T., Asano, N., Awogi, T., Sasaki, Y. F., Sato, S., Shimada, H., Sutou, S., Suzuki, T., Wakata, A., Sofuni, T., & Hayashi, M.","Honma Masamitsu",null,"micronucleus assay","Evaluation of the rodent micronucleus assay in the screening of IARC carcinogens (Groups 1, 2A and 2B). The summar","Chromosome aberration","In Vivo",1997,{"$nulls":3},"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic azo|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Aromatic diazo (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aromatic diazo|Primary aromatic amine,hydroxyl amine and its derived esters",1,"Aromatic diazo|H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["121-75-5","malathion;butanedioic acid, [(dimethoxyphosphinothioyl)thio]-, diethylester;malathione;butanedioic acid, [(dimethoxyphosphinothioyl)thio]-, diethyl ester;diethyl 2-[(dimethoxyphosphorothioyl)sulfanyl]succinate;[(dimethoxyphosphinothioyl)thio]butanedioic acid, diethyl ester;malathion (cythion formulation);malathion/xylene mixture (malathion 5e);diethyl 2-[(dimethoxyphosphorothioyl)thio]succinate;succinic acid, mercapto-, diethyl ester, s-ester with o,o-dimethylphosphorodithioate;121-75-5","C(=O)(C(CC(=O)OCC)SP(=S)(OC)OC)OCC","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO","Dulout, F. N., Olivero, O. A., Von Guradze, H., & Pastori, M. C.","Honma Masamitsu","Mutation Res., 105, 413-416","micronucleus assay","Cytogenetic effect of malathion assessed by the micronucleus test","Chromosome aberration","In Vivo",1982,{"$nulls":3},"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"No alert found",0,"No alert found",0,"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["75-05-8","acetonitrile;acetonitrile [aka ethyl nitrile];75-05-8","C(C)#N","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO","Schlegelmilch, R., Krug, A., & Wolf, H. U.","Honma Masamitsu","J Appl Toxicol, 8, 201-209.","micronucleus assay","Mutagenic activity of acetonitrile and fumaronitrile in three short term assays with special reference to autoinduction,","Chromosome aberration","In Vivo",1988,{"$nulls":3},"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0]
["3688-53-7","furylfuramide;af-2;2-(2-furyl)-3-(5-no2furyl)acrylamide;furylfuramide (af-2);2-(2-furyl)-3-(5-nitro-2-furyl)acrylamide;2-(2-furyl)-3-(5-nitro-2-furyl) acrylamide;(2z)-2-(furan-2-yl)-3-(5-nitrofuran-2-yl)prop-2-enamide;2-furanacetamide, alpha-((5-nitro-2-furanyl)methylene)- (9ci)","C(N)(=O)C(C1=CC=CO1)=CC1=CC=C(N(=O)=O)O1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","N/A","YES","Reimann R, Kalweit S, Lang R.","Honma Masamitsu",null,"micronucleus assay","Studies for a genotoxic potential of some endogenous and exogenous sex steroids. II. Communication: examination for the induction of cytogenetic damage using the chromosomal aberration assay on human lymphocytes in vit","Chromosome aberration","In Vivo",1996,{"$nulls":3},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Michael addition|Michael addition >> P450 Mediated Activation of Heterocyclic Ring Systems|Michael addition >> P450 Mediated Activation of Heterocyclic Ring Systems >> Furans|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated amides|SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Unsaturated heterocyclic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["1162-65-8","aflatoxin b1;(6ar-cis)-2,3,6a,9a-tetrahydro-4-methoxycyclopenta[c]furo[3',2':4,5]furo[2,3-h][1]benzopyran-1,11-dione;2,3,6a±,9a±-tetrahydro-4-methoxycyclopenta[c]furo[2',3':4,5]furo[2,3-h]chromene-1,11-dione;2,3,6a?,9a?-tetrahydro-4-methoxycyclopenta[c]furo[2',3':4,5]furo[2,3-h]chromene-1,11-dione;4-methoxy-2,3,6a,9a-tetrahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromene-1,11-dione;4-(methyloxy)-2,3,6a,9a-tetrahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromene-1,11-dione;cyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-1,11-dione, 2,3,6a,9a-tetrahydro-4-methoxy-, (6ar,9as)-;1162-65-8;aflatoxin b<sub>1</sub>;(-)-form","C1(=O)C2C(=O)CCC=2c2c(c3c(cc2OC)OC2C3C=CO2)O1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO","Bruce, W. R. & Heddle, J. A.","Honma Masamitsu","Can. J. Genet. Cytol., 21, 319-334","micronucleus assay","The mutagenic activity of 61 agents as determined by the micronucleus, Salmonella, and sperm abnormality assays","Chromosome aberration","In Vivo",1979,{"$nulls":3},"Radical|Radical >> Generation of reactive oxygen species|Radical >> Generation of reactive oxygen species >> Coumarins|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Coumarins",1,"No alert found",0,"Coumarins and Furocoumarins (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Coumarins and Furocoumarins",1,"1,3-dialkoxy-benzene|Coumarins and Furocoumarins|H-acceptor-path3-H-acceptor",1]
["116-06-3","aldicarb;2-methyl-2-(methylthio)propionaldehyde, o-(methylcarbamoyl)oxime;propionaldehyde, 2-methyl-2-(methylthio)-, o-(methylcarbamoyl)oxime;propanal, 2-methyl-2-(methylthio)-, o-Х(methylamino)carbonylеoxime;temik;propanal, 2-methyl-2-(methylthio)-, o-[(methylamino)carbonyl]oxime;(5e)-7,7-dimethyl-4-oxa-8-thia-2,5-diazanon-5-en-3-one;2-methyl-2-(methylthio)propanol o-[(methylamino)carbonyl]oxime;aldicarb(sulfone);aldicarb(sulfoxide);(1e)-2-methyl-2-(methylthio)propanal o-[(methylamino)carbonyl]oxime;116-06-3","C(C)(C)(C=NOC(=O)NC)SC","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO","Wei, L.., Y., Chao, J., S., & Hong, C., C.","Honma Masamitsu","Environ Mol","micronucleus assay","Assessment of the ability of propoxur, methomyl, and aldicarb, three carbamate insecticides, to induce micronuclei in vitro in cultured Chinese hamster ovary cells and in vivo in BALB/c mice","Chromosome aberration","In Vivo",1997,{"$nulls":3},"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["92-67-1","4-aminobiphenyl (4-phenylaniline);4-aminobiphenyl;biphenyl-4-ylamine;4-aminodiphenyl;4-biphenylamine;4-amino-1,1’-biphenyl [4-aminobiphenyl];4-amino-1,1'-biphenyl;4-aminobiphenyl\"\";biphenyl-4-ylamine\";[1,1'-biphenyl]-4-amine;biphenyl-4-amine;biphenyl4ylamine (4aminobiphenyl)anditssalts;4-aminobiphenyl\";(1,1'-biphenyl)-4-amine","c1(-c2ccc(N)cc2)ccccc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO","Morita, T., Asano, N., Awogi, T., Sasaki, Y. F., Sato, S., Shimada, H., Sutou, S., Suzuki, T., Wakata, A., Sofuni, T., & Hayashi, M.","Honma Masamitsu",null,"micronucleus assay","Evaluation of the rodent micronucleus assay in the screening of IARC carcinogens (Groups 1, 2A and 2B). The summar","Chromosome aberration","In Vivo",1997,{"$nulls":3},"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"Primary aromatic amine, hydroxyl amine and its derived esters",1]
["61-94-9","arecoline hydrochloride;methyl 1-methyl-1,2,5,6-tetrahydropyridine-3-carboxylate hydrochloride","C(=O)(C1=CCCN(C)C1)OC","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","Low Quality, Conflict","NO",null,"Genetic Toxicology Data Bank (GENE-TOX)","Carcinogenesis(London) 5:501-503","micronucleus assay",null,"Chromosome aberration","In Vivo",1984,"http://toxnet.nlm.nih.gov/cgi-bin/sis/htmlgen?GENETOX","Mammalia","polychromatic erythrocytes","No alert found",0,"Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated esters|SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["320-67-2","5-azacytidine;azacitidine;azacitidine [usan:inn];2-(?-d-ribofuranosyl)-4-amino-1,3,5-triazin-2-one;4-amino-1-(beta-d-ribofuranosyl)-1,3,5-triazin-2(1h)-one;4-amino-1-beta-d-ribofuranosyl-1,3,5-triazin-2(1h)-one","C1(=O)N=C(N)N=CN1C1C(O)C(O)C(CO)O1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO","P.Van Hummelen, A.Deleener, Ph,Vanparys And M.Kirsch-Volders","Honma Masamitsu","Mutat. Res., 271","micronucleus assay","Discrimination of Aneuploidogens from clastogens by C-banding, DNA and area measurements of micronuclei from mouse bone marrow,","Chromosome aberration","In Vivo",1992,{"$nulls":3},"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor|Oxolane",1]
["71-43-2","benzene;benzene, pure;71-43-2","c1ccccc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO","Gad-El-Karim, M. M., Harper, B. L., & Legator, M. S.","Honma Masamitsu","Mutat Res, 135, 225-243","micronucleus assay","Modifications in the myeloclastogenic effect of benzene in mice with toluene, phenobarbital, 3-methylcholanthrene, aroclor 1254 and SKF-525A","Chromosome aberration","In Vivo",1984,{"$nulls":3},"No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes",1,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0]
["106-51-4","benzoquinone;benzoquinone, 4-;p-benzoquinone;1,4-benzoquinone;2,5-cyclohexadiene-1,4-dione;p-quinone;106-51-4","C1(=O)C=CC(=O)C=C1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO","Ciranni, R., Barale, R., & Marrazzini, A.","Honma Masamitsu","Mutat Res, 208, 61-67","micronucleus assay","Benzene and the genotoxicity of its metabolites","Chromosome aberration","In Vivo",1988,{"$nulls":3},"Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones",1,"Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated ketones|Michael addition >> Quinones and Quinone-type Chemicals|Michael addition >> Quinones and Quinone-type Chemicals >> Quinones",1,"Quinones (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones",1,"Quinones",1,"H-acceptor-path3-H-acceptor|Quinones",1]
["106-99-0","1,3-butadiene;butadiene;buta-1,3-diene;buta1,3diene,seealsoentries464611","C(=C)C=C","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO","Adler, I.-D., Cao, J., Filser, J. G., Gassner, P., Kessler, W., Kliesch, U., Neuhauser-Klaus, A., & Nusse, M.","Honma Masamitsu","Mutat Res, 309, 307-314","micronucleus assay","Mutagenicity of 1,3-butadiene inhalation in somatic and germinal cells of mice","Chromosome aberration","In Vivo",1994,{"$nulls":3},"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0]
["133-06-2","captan;1h-isoindole-1,3(2h)-dione, 3a,4,7,7a-tetrahydro-2-[(trichloromethyl)thio]-;captan 90-concentrate  (solid);2-[(trichloromethyl)sulfanyl]-3a,4,7,7a-tetrahydro-1h-isoindole-1,3(2h)-dione;n(trichloromethylthio)4cyclohexene1,2dicarboximide(captaniso);3a,4,7,7a-tetrahydro-2-[(trichloromethyl)thio]-1h-isoindole-1,3-(2h)-dione;captan/hexachlorobenzene mixture;captan/zineb mixture;captan (thpi degradate);captan (thpam metabolite);2-[(trichloromethyl)thio]-3a,4,7,7a-tetrahydro-1h-isoindole-1,3(2h)-dione;captans;1h-isoindole-1,3(2h)-dione, 3a,4,7,7a-tetrahydro-2-((trichloromethyl)thio)-;133-06-2","C1(=O)C2C(C(=O)N1SC(Cl)(Cl)Cl)CC=CC2","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO","Feng, J. & Lin, B.","Honma Masamitsu","Environ Res, 43, 359-363","micronucleus assay","Cytogenetic effects of an agricultural antibiotic, captan, on mouse bone marrow and testicular cells","Chromosome aberration","In Vivo",1987,{"$nulls":3},"Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Heteroatom",1,"No alert found",0,"Alkyl halides (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Haloalkanes Containing Heteroatom",1,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["63-25-2","carbaryl (sevin);carbaryl;1-naphthalenol, methylcarbamate;1-naphthyl-n-methylcarbamate;carbaril;carbamic acid, methyl-, 1-naphthyl ester;1-naphthyl methylcarbamate;1-naphthalenol methylcarbamate;carbaryl (sevin 4 oil);carbaryl (sevin xlr);carbaryl sevin dust formulation;carbaryl sevin xlr;carbaryl (sevin 50w formulation);naphthalen-1-yl methylcarbamate;63-25-2","c1(OC(=O)NC)c2c(cccc2)ccc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO","Rani, M. V. U., Reddi, O. S., & Reddy, P. P.","Honma Masamitsu","Bull Environ Contam Toxicol, 25, 277-282","micronucleus assay","Mutagenicity studies involving aldrin, endosulfan, dimethoate, phosphamidon, carbaryl and ceresan","Chromosome aberration","In Vivo",1980,{"$nulls":3},"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["120-80-9","catechol (1,2-dihydroxybenzene);catechol;benzene-1,2-diol;1,2-benzenediol;1,2-dihydroxybenzene;pyrocatechol;pyrocatechine;pyrocatechol(catechol)","c1(O)c(O)cccc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO","Ciranni, R., Barale, R., & Marrazzini, A.","Honma Masamitsu","Mutat Res, 208, 61-67","micronucleus assay","Benzene and the genotoxicity of its metabolites","Chromosome aberration","In Vivo",1988,{"$nulls":3},"No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["302-17-0","chloral hydrate;choral hydrate;2,2,2-trichloro-1,1-ethanediol;1,1-ethanediol, 2,2,2-trichloro-;2,2,2-trichloroethane-1,1-diol;2,2,2trichloroethane1,1diol","C(Cl)(Cl)(Cl)C(O)O","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO","Allen, J. W., Collins, B. W., & Evansky, P. A.","Honma Masamitsu","Mutat Res, 323, 81-88","micronucleus assay","Spermatid micronucleus analyses of trichloroethylene and chloral hydrate effects in mice","Chromosome aberration","In Vivo",1994,{"$nulls":3},"Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes",1,"No alert found",0,"Alkyl halides (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes",1,"No alert found",0,"No alert found",0]
["305-03-3","chlorambucil;chloroambucil;benzenebutanoic acid, 4-[bis(2-chloroethyl)amino]-;4-{4-[bis(2-chloroethyl)amino]phenyl}butanoic acid;4-[bis(2-chloroethyl)amino]benzenbutanone acid;benzenebutanoic acid, 4-(bis(2-chloroethyl)amino)-;305-03-3","c1(N(CCCl)CCCl)ccc(CCCC(=O)O)cc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO","Morita, T., Asano, N., Awogi, T., Sasaki, Y. F., Sato, S., Shimada, H., Sutou, S., Suzuki, T., Wakata, A., Sofuni, T., & Hayashi, M.","Honma Masamitsu",null,"micronucleus assay","Evaluation of the rodent micronucleus assay in the screening of IARC carcinogens (Groups 1, 2A and 2B). The summar","Chromosome aberration","In Vivo",1997,{"$nulls":3},"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Nitrogen Mustards",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine|SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> Mustards",1,"S or N mustard (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"S or N mustard",1,"H-acceptor-path3-H-acceptor|S or N mustard",1]
["95-83-0","4-chloro-o-phenylenediamine;4-chloro-benzene-1,2-diamine;4-chloro-orto-phenylenediamine;4-chloro-1,2-benzenediamine;4-chloro-1,2-diaminobenzene;4-chloro-o-phenylendiamine;2-amino-4-chloroaniline;1,2-benzenediamine, 4-chloro-;o-phenylenediamine, 4-chloro-;4-chlorobenzene-1,2-diamine","c1(N)c(N)cc(Cl)cc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO","Morita, T., Asano, N., Awogi, T., Sasaki, Y. F., Sato, S., Shimada, H., Sutou, S., Suzuki, T., Wakata, A., Sofuni, T., & Hayashi, M.","Honma Masamitsu",null,"micronucleus assay","Evaluation of the rodent micronucleus assay in the screening of IARC carcinogens (Groups 1, 2A and 2B). The summar","Chromosome aberration","In Vivo",1997,{"$nulls":3},"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["108-90-7","benzene, chloro-;chlorobenzene;monochlorobenzene;chloro-benzene;monochlorobenzene,;108-90-7","c1(Cl)ccccc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO","Mohtashamipur, E., Triebel, R., Straeter, H., & Norpoth, K.","Honma Masamitsu","Mutagenesis, 2, 111-113","micronucleus assay","The bone marrow clastogenicity of eight halogenated benzenes in male NMRI mice","Chromosome aberration","In Vivo",1987,{"$nulls":3},"No alert found",0,"No alert found",0,"Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"No alert found",0]
["150-68-5","diuron;monuron;3-(p-chlorophenyl)-1,1-dimethylurea;urea, n'-(4-chlorophenyl)-n,n-dimethyl-;urea, 3-(p-chlorophenyl)-1,1-dimethyl-;urea, n’-(4-chlorophenyl)-n,n-dimethyl-;3-(4-chlorophenyl)-1,1-dimethylurea;monuron pellet formulation;monuron formulation;150-68-5","c1(Cl)ccc(NC(=O)N(C)C)cc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO","Jones, D. C. L., Simmon, V. F., Mortelmans, K. E., Mitchell, A. D., Evans, E. L., Jotz, M. M., Riccio, E. S., Robinson, D. E., & Kirkland, B. A.","Honma Masamitsu","U.S. EPA report EPA-600/1-84-00","micronucleus assay","In vitro and in vivo mutagenicity studies of environmental chemicals","Chromosome aberration","In Vivo",1984,{"$nulls":3},"SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic phenylureas",1,"Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["94-20-2","chlorpropamide;benzenesulfonamide, 4-chloro-n-[(propylamino)carbonyl]-;4-chloro-n-(propylcarbamoyl)benzenesulfonamide;chlorpropamide(inn);4-chloro-n-[(propylamino)carbonyl]benzenesulfonamide;benzenesulfonamide, 4-chloro-n-((propylamino)carbonyl)-;94-20-2","c1(Cl)ccc(S(=O)(=O)NC(=O)NCCC)cc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO",null,"Genetic Toxicology Data Bank (GENE-TOX)","Mutat Res 123:61-118","micronucleus assay",null,"Chromosome aberration","In Vivo",1983,"http://toxnet.nlm.nih.gov/cgi-bin/sis/htmlgen?GENETOX","Mammalia","polychromatic erythrocytes","SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"Acylation|Acylation >> P450 Mediated Activation to Isocyanates or Isothiocyanates|Acylation >> P450 Mediated Activation to Isocyanates or Isothiocyanates >> Sulfonylureas",1,"Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["50-18-0","cyclophosphamide;2h-1,3,2-oxazaphosphorin-2-amine, n,n-bis(2-chloroethyl)tetrahydro-, 2-oxide;n,n-bis(2-chloroethyl)-1,3,2-oxazaphosphinan-2-amine 2-oxide;cyclophosphamide(inn)anditssalts;n,n-bis(2-chloroethyl)tetrahydro-2h-1,3,2-oxazaphosphorin-2-amine 2-oxide;2h-1,3,2-oxazaphosphorin-2-amine, n,n-bis(2-chloroethyl)tetrahydro-, 2-oxide (9ci)","C1CCNP(=O)(N(CCCl)CCCl)O1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO","Santos-Mello,R Deimling,Li Laurer,J,C And Reiger,De Carvalho,T","Romualdo Benigni","Genet. Mol. Biol. 28:156-160","micronucleus assay","Chemoprotective Effect Of Cysteamine Against The Induction Of Micronuclei By Methyl Methanesulfonate Adn Cyclophosphamide","Chromosome aberration","In Vivo",2005,"CCRIS & NTP","Mouse","bone marrow cells","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Nitrogen Mustards|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> Mustards",1,"S or N mustard (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"S or N mustard",1,"H-acceptor-path3-H-acceptor|S or N mustard",1]
["52918-63-5","deltamethrin [bsi:iso];deltamethrin;[1r-[1 alpha(s*),3 alpha]]cyano(3-phenoxyphenyl)methyl ester 3-(2,2-dibromoethenyl)-2,2-dimethyl cyclopropane carboxylic acid;decamethrin;deltamethrin [aka cyclopropane carboxylic acid, 3-(2,2-dibromoethenyl)-2,2-dimethyl-, cyano(3-phenoxyphenyl)methyl ester];(s)-alpha-cyano-m-phenoxybenzyl (1r,3r)-3-(2,2-dibromovinyl)-2,2-dimet;±-cyano-3-phenoxybenzyl [1r-[1±(s*),3±]]-3-(2,2-dibromovinyl)-2,2-dimethylcyclopropanecarboxylate;?-cyano-3-phenoxybenzyl [1r-[1?(s*),3?]]-3-(2,2-dibromovinyl)-2,2-dimethylcyclopropanecarboxylate;(s)-cyano(3-phenoxyphenyl)methyl (1r,3r)-3-(2,2-dibromovinyl)-2,2-dimethylcyclopropanecarboxylate;cyclopropanecarboxylic acid, 3-(2,2-dibromoethenyl)-2,2-dimethyl-, cyano(3-phenoxyphenyl)methyl ester, [1r-[1.alpha.(s*),3.alpha.]]-;(1r,3r)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropanecarboxylic acid (s)cyano(3-phenoxyphenyl)methyl ester;deltamethrin/tralomethrin mixture;(s)-cyano[3-(phenyloxy)phenyl]methyl (1r,3r)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropanecarboxylate;cyclopropanecarboxylic acid, 3-(2,2-dibromoethenyl)-2,2-dimethyl-, cyano(3-phenoxyphenyl)methyl ester, (1r-(1-alpha(s*),3-alpha))-;52918-63-5","C(#N)C(c1cc(Oc2ccccc2)ccc1)OC(=O)C1C(C)(C)C1C=C(Br)Br","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","N/A","YES","Bhunya, S. P. & Pati, P. C.","Honma Masamitsu","Mutagenesis, 5, 229-232.","micronucleus assay","Effect of deltamethrin, a synthetic pyrethroid, on the induction of chromosome aberrations, micronuclei and sperm abnormalities in mice,","Chromosome aberration","In Vivo",1990,{"$nulls":3},"Acylation|Acylation >> Acyl transfer via nucleophilic addition reaction|Acylation >> Acyl transfer via nucleophilic addition reaction >> Haloalkenes with Electron-Withdrawing Groups|SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Haloalkenes with Electron-Withdrawing Groups|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Haloalkenes with Electron-Withdrawing Groups",1,"No alert found",0,"No alert found",0,"Acylation|Acylation >> Acyl transfer via nucleophilic addition reaction|Acylation >> Acyl transfer via nucleophilic addition reaction >> Haloalkenes with Electron-Withdrawing Groups|SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Haloalkenes with Electron-Withdrawing Groups|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Haloalkenes with Electron-Withdrawing Groups",1,"No alert found",0,"1-phenoxy-benzene|H-acceptor-path3-H-acceptor",1]
["439-14-5","diazepam;2h-1,4-benzodiazepin-2-one, 7-chloro-1,3-dihydro-1-methyl-5-phenyl-;7-chloro-1-methyl-5-phenyl-1,3-dihydro-2h-1,4-benzodiazepin-2-one;7-chloro-1,3-dihydro-1-methyl-5-phenyl-2h-1,4 benzodiazepine","c1(C2c3c(ccc(Cl)c3)N(C)C(=O)CN=2)ccccc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO","Adler, I.-D., Kliesch, U., Van Hummelen, P., & Kirsch-Volders, M.","Honma Masamitsu","Mutagenesis, 6, 47-53","micronucleus assay","Mouse micronucleus tests with known and suspect spindle poisons: results from two laboratories","Chromosome aberration","In Vivo",1991,{"$nulls":3},"No alert found",0,"No alert found",0,"Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["53-70-3","dibenz[a,h]anthracene;dibenzo(a,h)anthracene;dibenz(a,h)anthracene;dibenzo[a,h]anthracene;1,2,5,6-dibenzanthracene;dibenzathracene;benzo[k]tetraphene","c12c(c3c(cc4c5c(ccc4c3)cccc5)cc1)cccc2","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO","Morita, T., Asano, N., Awogi, T., Sasaki, Y. F., Sato, S., Shimada, H., Sutou, S., Suzuki, T., Wakata, A., Sofuni, T., & Hayashi, M.","Honma Masamitsu",null,"micronucleus assay","Evaluation of the rodent micronucleus assay in the screening of IARC carcinogens (Groups 1, 2A and 2B). The summar","Chromosome aberration","In Vivo",1997,{"$nulls":3},"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1",1,"Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1]
["96-12-8","propane, 1,2-dibromo-3-chloro-;dibromochloropropane;1,2-dibromo-3-chloropropane;1,2dibromo3chloropropane;96-12-8","C(Br)(CCl)CBr","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO","Albanese, R., Mirkova, E., Gatehouse, D., & Ashby, J.","Honma Masamitsu","Mutagenesis, 3, 35-38","micronucleus assay","Species-specific response to the rodent carcinogens 1,2- dimethylhydrazine and 1,2-dibromo-3-chloropropane in rodent bone-marrow micronucleus assays","Chromosome aberration","In Vivo",1988,{"$nulls":3},"SN2|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation >> Vicinal Dihaloalkanes",1,"SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> 1,2-Dihaloalkanes",1,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aliphatic halogens",1,"Aliphatic halogen",1]
["95-50-1","benzene, 1,2-dichloro-;1,2-dichlorobenzene;dichlorobenzene, 1,2-;dichlorobenzene, -o;dichlorobenzene, o-;o-dichlorobenzene;1,2-dichlorobenzene (o-dichlorobenzene);benzene, o-dichloro-;o-dichlorobenzene,;95-50-1","c1(Cl)c(Cl)cccc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO","Mohtashamipur, E., Triebel, R., Straeter, H., & Norpoth, K.","Honma Masamitsu","Mutagenesis, 2, 111-113","micronucleus assay","The bone marrow clastogenicity of eight halogenated benzenes in male NMRI mice","Chromosome aberration","In Vivo",1987,{"$nulls":3},"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0]
["94-75-7","acetic acid, 2-(2,4-dichlorophenoxy)-;dichlorophenoxyacetic acid, 2,4-;2,4-dichlorophenoxyacetic acid;(2,4-dichloro-phenoxy)-acetic acid;2,4-d ph < 5;2,4-d ph > 5;2,4-d (2,4-dichlorophenoxyacetic acid);2,4-dichlorophenoxyaceticacid;2,4-d;(2,4-dichlorophenoxy)acetic acid;2,4-dichloro-phenoxyacetic acid;acetic acid, (2,4-dichlorophenoxy)-;2-(2,4-dichlorophenoxy)acetic acid;2,4-d acid;2,4-d acid/2,4,5-t mixture (emulsamine);2,4-d/mcpp mixture;2,4-d/picloram potassium salt mixture;2,4-d/picloram potassium salt (tordon 22k);94-75-7","c1(OCC(=O)O)c(Cl)cc(Cl)cc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO","Preston Fu, Adler Id, Leonard A, Lyon Mf","Edward D. Thompson,Comparison of In Vivo and In Vitro Cytogenetic Assay Results,Environmental Mutagenesis 8:753-767,1986","Comparative Chemical Mutagenesis, New York, London: Plenum Press, pp 549-631.","micronucleus assay","Mutagenicity of selected chemicals in in vivocytogenetic assay. In deSerres FJ, Shelby MD ( 4s)","Chromosome aberration","In Vivo",1981,"CCRIS",null,"bone marrow cells","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["60-57-1","2,7:3,6-dimethanonaphth[2,3-b]oxirene, 3,4,5,6,9,9-hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-, (1ar,2r,2as,3s,6r,6ar,7s,7as)-rel-;dieldrin;dieldrin [inn:ban];3,4,5,6,9,9-hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-2,7:3,6-dimethanonaphtho[2,3-b]oxirene;2,7:3,6-dimethanonaphth[2,3-b]oxirene, 3,4,5,6,9,9-hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-, (1a.alpha.,2.beta.,2a.alpha.,3.beta.,6.beta.,6a.alpha.,7.beta.,7a.alpha.)-;(1a alpha, 2 beta, 2a alpha, 3 beta, 6 beta, 6a alpha, 7 beta, 7a alpha)-3,4,5,6,9,9-hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-2,7:3,6-dimethanonaphth[2,3-b]oxirene;dieldrin (cancelled in u.s.);2,7:3,6-dimethanonaphth(2,3-b)oxirene, 3,4,5,6,9,9-hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-, (1aalpha,2beta,2aalpha,3beta,6beta,6aalpha,7beta,7aalpha)-","C12(Cl)C(Cl)(Cl)C(Cl)(C(Cl)=C1Cl)C1C3C4C(C(C21)C3)O4","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","N/A","YES","Cicchetti R, Bari M, Argentin G.","Honma Masamitsu","Mutat Res. 439, 239-248.","micronucleus assay","Induction of micronuclei in bone marrow by two pesticides and their differentiation with CREST staining: an in vivo study in mice","Chromosome aberration","In Vivo",1999,{"$nulls":3},"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation >> Vicinal Dihaloalkanes|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives",1,"SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides",1,"(Poly) Halogenated Cycloalkanes (Nongenotox)|Epoxides and aziridines (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives",1,"Epoxides and aziridines",1,"Epoxides and aziridines",1]
["60-51-5","phosphorodithioic acid, o,o-dimethyl s-[2-(methylamino)-2-oxoethyl] ester;dimethoate;o,o-dimethyl-s-(n-methylcarbamoylmethyl) phosphorodithioate;phosphorodithioic acid, o,o-dimethyl s-[2-methylamino)-2-oxoethyl]ester;phosphorodithioic acid, o,o-dimethyl ester, s-ester with 2-mercapto-n-methylacetamide;phosphorodithioic acid, o,o-dimethyl s-(2-(methylamino)-2-oxoethyl) ester;phosphorodithioic acid, o,o-dimethyl s-(methylcarbamoylmethyl) ester;o,o-dimethyl s-[2-(methylamino)-2-oxoethyl] phosphorodithioate;dimethoate ( replicate study i);dimethoate (replicate study ii);dimethoate (cygon 267 formulation);o,o-dimethyl s-[2-(methylamino)-2-oxoethyl] dithiophosphate;60-51-5","C(=O)(CSP(=S)(OC)OC)NC","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO","Rani, M. V. U., Reddi, O. S., & Reddy, P. P.","Honma Masamitsu","Bull Environ Contam Toxicol, 25, 277-282.","micronucleus assay","Mutagenicity studies involving aldrin, endosulfan, dimethoate, phosphamidon, carbaryl and ceresan","Chromosome aberration","In Vivo",1980,{"$nulls":3},"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"No alert found",0,"No alert found",0,"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["120-61-6","dimethyl terephthalate;1,4-benzenedicarboxylic acid, 1,4-dimethyl ester;dimethylterephthalate;1,4-benzenedicarboxylic acid, dimethyl ester;terephthalic acid, dimethyl ester;dimethyl benzene-1,4-dicarboxylate","C(=O)(c1ccc(C(=O)OC)cc1)OC","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO","Rompelberg Cj, Stenhuis Wh, De Vogel N, Van Osenbruggen Wa, Schouten A, Verhagen H.","Honma Masamitsu","Mutat Res. 346, 69-75.","micronucleus assay","Antimutagenicity of eugenol in the rodent bone marrow micronucleus test","Chromosome aberration","In Vivo",1995,{"$nulls":3},"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["57-97-6","7,12-dimethylbenz[a]anthracene;7,12-dimethylbenz(a)anthracene;7,12-dimethyl-1,2-benz(a)anthracene;7,12-dime-benz(a)anthracene;9,10-dimethyl-1,2-benzanthracene;7,12-dimethyl benzanthracene;benz[a]anthracene, 7,12-dimethyl-;dimethylbenz[a]anthracene (dmba);7,12-dimethyltetraphene;7,12-dimethylbenz[alpha]anthracene;benz(a)anthracene, 7,12-dimethyl-;57-97-6","c12c(c3c(C)c4c(c(C)c3cc1)cccc4)cccc2","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO","Tice, R.R., Erexson, G.L.. And Shelby, M.D.","Honma Masamitsu","Mutat Res, 234, 187-193","micronucleus assay","The induction of micronucleated polychromatic erythrocytes in mice using single and multiple treatments","Chromosome aberration","In Vivo",1990,{"$nulls":3},"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition|SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-SN1",1,"Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Polycyclic Aromatic Hydrocarbons|SN2|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1,"Polycyclic Aromatic Hydrocarbons",1]
["79-44-7","dimethylcarbamoyl chloride;dimethylcarbamyl chloride;carbamic chloride, dimethyl-;carbamoyl chloride, dimethyl-;dimethylcarbamic chloride;dimethylcarbamoylchloride;79-44-7","C(=O)(Cl)N(C)C","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO",null,"Genetic Toxicology Data Bank (GENE-TOX)","Mutat Res 123:61-118","micronucleus assay",null,"Chromosome aberration","In Vivo",1983,"http://toxnet.nlm.nih.gov/cgi-bin/sis/htmlgen?GENETOX","Mammalia","polychromatic erythrocytes","No alert found",0,"Acylation|Acylation >> Direct Addition of an Acyl Halide|Acylation >> Direct Addition of an Acyl Halide >> Alkyl carbamyl halides|SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"Acyl halides (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Acyl halides",1,"Acyl halides|H-acceptor-path3-H-acceptor",1]
["57-14-7","1,1-dimethylhydrazine;n,n-dimethyl-hydrazine;dimazine;dimethyl hydrazine;n,n-dimethylhydrazine;hydrazine, 1,1-dimethyl-;57-14-7","CN(C)N","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO","Bruce, W. R. & Heddle, J. A.","Honma Masamitsu","Can. J. Genet. Cytol., 21, 319-334","micronucleus assay","The mutagenic activity of 61 agents as determined by the micronucleus, Salmonella, and sperm abnormality assays","Chromosome aberration","In Vivo",1979,{"$nulls":3},"Nucleophilic addition|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization >> Hydrazine Derivatives|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Hydrazine Derivatives",1,"No alert found",0,"Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Hydrazine",1,"H-acceptor-path3-H-acceptor|Hydrazine",1]
["64-17-5","ethanol;ethyl alcohol;ethyl alcohol [ethanol];alcohol [usan];ethanol/ 4 quat formulation (chlorox p198);64-17-5","C(C)O","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO","Watanabe, M., Honda, S., Hayashi, M., & Matsuda, T.","Honma Masamitsu","Mutat Res, 97, 43-48","micronucleus assay","Mutagenic effects of combinations of chemical carcinogens and environmental pollutants in mice as shown by the micronucleus test","Chromosome aberration","In Vivo",1982,{"$nulls":3},"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0]
["75-21-8","ethylene oxide;oxirane;ethyleneoxy;ethyleneoxide;75-21-8","C1CO1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO","Appelgren, L. E., Eneroth, G., Grant, C., Landstrom, L. E., & Tenghagen, K.","Honma Masamitsu","Acta Pharmacol Toxicol, 43, 69-71","micronucleus assay","Testing of ethylene oxide for mutagenicity using the micronucleus test in mice and rats","Chromosome aberration","In Vivo",1978,{"$nulls":3},"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides",1,"Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Epoxides and aziridines",1,"Epoxides and aziridines",1]
["97-53-0","eugenol (4-allyl-2-methoxyphenol);eugenol;4-allyl-2-methoxy-phenol;1-allyl-3-methoxy-4-hydroxybenzene;phenol, 2-methoxy-4-(2-propenyl)-;phenol, 4-allyl-2-methoxy-;2-methoxy-4-(prop-2-en-1-yl)phenol;2-methoxy-4-(2-propenyl)phenol;4-allyl-2-methoxyphenol;97-53-0","c1(O)c(OC)cc(CC=C)cc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO","Tiku Ab, Abraham Sk, Kale Rk.","Honma Masamitsu","J Radiat Res, 45, 435-440","micronucleus assay","Eugenol as an in vivo radioprotective agent","Chromosome aberration","In Vivo",2004,{"$nulls":3},"No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones|SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Allyl benzenes",1,"Alkylbenzenes (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["51630-58-1","fenvalerate (pydrin);fenvalerate;cyano(3-phenoxyphenyl)methyl ester, 4-chloro-alpha-(1-methylethyl)benzeneacetic acid;fenvalerate [aka cyano-3-phenoxyphenylmethyl-4-chloro-alpha-1-methylethylbenzene acetate];pydrin;cyano (3-phenoxybenzyl)-2-(4-chlorophenyl)-3-methylbutyrate;fenvalerate\"\"\";fenvalerate [bsi:iso];cyano(3-phenoxyphenyl)methyl 2-(4-chlorophenyl)-3-methylbutanoate;benzeneacetic acid, 4-chloro-.alpha.-(1-methylethyl)-, cyano(3-phenoxyphenyl)methyl ester;4-chloro-alpha-(1-methylethyl)benzeneacetic acid cyano(3-phenoxyphenyl)methyl ester;fenvalerate 1.9 ec formulation;fenvalerate (pydrin formulation);fenvalerate 2.4 ec;fenvalerate (pydrin 2.4 ec formulation);fenvalerate dpx-yb656-59 formulation;fenvalerate (82.8% esfenvalerate ss isomer);cyano[3-(phenyloxy)phenyl]methyl 2-(4-chlorophenyl)-3-methylbutanoate;fenvalerate\";benzeneacetic acid, 4-chloro-alpha-(1-methylethyl)-, cyano(3-phenoxyphenyl)methyl ester;51630-58-1","C(#N)C(c1cc(Oc2ccccc2)ccc1)OC(=O)C(c1ccc(Cl)cc1)C(C)C","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO","Pati, P. C. & Bhunya, S. P.","Honma Masamitsu","Mutation Res., 222, 149-154","micronucleus assay","Cytogenetic effects of fenvalerate in mammalian in vivo test system","Chromosome aberration","In Vivo",1989,{"$nulls":3},"No alert found",0,"No alert found",0,"Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity|Substituted n-alkylcarboxylic acids (Nongenotox)",1,"No alert found",0,"No alert found",0,"1-phenoxy-benzene|H-acceptor-path3-H-acceptor",1]
["123-31-9","hydroquinone (1,4-dihydroxybenzene);hydroquinone;benzene-1,4-diol;1,4-benzenediol;hydrquinone;1,4-dihydroquinone;quinol","c1(O)ccc(O)cc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO","Ciranni, R., Barale, R., & Marrazzini, A.","Honma Masamitsu","Mutat Res, 208, 61-67","micronucleus assay","Benzene and the genotoxicity of its metabolites","Chromosome aberration","In Vivo",1988,{"$nulls":3},"No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones",1,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0]
["78-79-5","1,3-butadiene, 2-methyl-;isoprene;2-methyl-1,3-butadiene;isoprene (stabilized);(2methyl1,3butadiene)","C(=C)(C)C=C","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO","Tice, R. R., Boucher, R., Luke, C. A., Paquette, D. E., Melnick, R. L., & Shelby, M. D.","Honma Masamitsu","Mutagenesis, 3, 141-146","micronucleus assay","Chloroprene and isoprene: cytogenetic studies in mice","Chromosome aberration","In Vivo",1988,{"$nulls":3},"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0]
["148-82-3","melphalan;4-(bis(2-chloroethyl)amino)-l-phenylalanine;melphalan [usan:ban:inn:jan];melphalan [sarkolysin] [phenyl alanine mustard];l-phenylalanine, 4-[bis(2-chloroethyl)amino]-;4-[bis(2-chloroethyl)amino]-l-phenylalanine;alanine, 3-(p-(bis(2-chloroethyl)amino)phenyl)-, l-;148-82-3","C(=O)(O)C(N)Cc1ccc(N(CCCl)CCCl)cc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO","Morita, T., Asano, N., Awogi, T., Sasaki, Y. F., Sato, S., Shimada, H., Sutou, S., Suzuki, T., Wakata, A., Sofuni, T., & Hayashi, M.","Honma Masamitsu",null,"micronucleus assay","Evaluation of the rodent micronucleus assay in the screening of IARC carcinogens (Groups 1, 2A and 2B). The summar","Chromosome aberration","In Vivo",1997,{"$nulls":3},"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Nitrogen Mustards",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine|SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> Mustards",1,"S or N mustard (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"S or N mustard",1,"H-acceptor-path3-H-acceptor|S or N mustard",1]
["72-33-3","mestranol;19-norpregna-1,3,5(10)-trien-20-yn-17-ol, 3-methoxy-, (17?)-;(17beta)-17-ethynyl-3-methoxyestra-1,3,5(10)-trien-17-ol;19-norpregna-1,3,5(10)-trien-20-yne-17-ol, 3-methoxy-, (17.alpha.)-;(17alpha)-3-methoxy-19-norpregna-1,3,5(10)-trien-20-yn-17-ol;(17beta)-17-ethynyl-3-(methyloxy)estra-1,3,5(10)-trien-17-ol;19-norpregna-1,3,5(10)-trien-20-yn-17-ol, 3-methoxy-, (17alpha)-","C(#C)C1(O)C2(C)C(C3C(c4c(cc(OC)cc4)CC3)CC2)CC1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","N/A","YES","Dhillon,V.S., J. Singh, H. Singh And R.S. Kler","Romualdo Benigni","Mutation Res., 322(3), 173-183","micronucleus assay","IN VITRO AND IN VIVO GENOTOXICITY EVALUATION OF HORMONAL DRUGS. V. MESTRANOL","Chromosome aberration","In Vivo",1994,"CCRIS","Mouse","bone marrow cells","No alert found",0,"No alert found",0,"Steroidal estrogens (nongenotoxic & genotoxic)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"No alert found",0]
["59-05-2","methotrexate;l-glutamic acid, n-[4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-;n-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}phenyl)carbonyl]-l-glutamic acid;methotrexate(inn);n-[4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-l-glutamic acid;methotrexate [usan:ban:inn:jan];glutamic acid, n-(p-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-, l-;59-05-2","C(=O)(c1ccc(N(C)Cc2cnc3c(c(N)nc(N)n3)n2)cc1)NC(C(=O)O)CCC(=O)O","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO","Maier, P. & Schmid, W.","Honma Masamitsu","Mutat Res, 40, 325-338","micronucleus assay","Ten model mutagens evaluated by the micronucleus test","Chromosome aberration","In Vivo",1976,"CCRIS",null,null,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["66-27-3","methyl methanesulfonate;methanesulfonic acid;methyl methane sulfonate;methyl methane sulfonate (mms);methyl methanesulphonate;methanesulfonic acid, methyl ester;methanesulfonic acid methyl ester;methylmethanesulfonate;66-27-3;me ester","COS(C)(=O)=O","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO","Bruce, W. R. & Heddle, J. A.","Honma Masamitsu","Can. J. Genet. Cytol., 21, 319-334","micronucleus assay","The mutagenic activity of 61 agents as determined by the micronucleus, Salmonella, and sperm abnormality assays","Chromosome aberration","In Vivo",1979,{"$nulls":3},"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Sulfonates and Sulfates",1,"SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Sulfonates",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Sulfonates and Sulfates",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid|H-acceptor-path3-H-acceptor",1]
["298-00-0","parathion-methyl [bsi:iso];parathion-methyl (technical);parathion-methyl (penncap-m);methyl parathion;parathion-methyl;o,o-dimethyl o-(4-nitrophenyl) phosphorothioate;phosphorothioic acid, o,o-dimethyl o-(4-nitrophenyl)ester;parathion methyl;methylparathion;phosphorothioic acid, o,o-dimethyl o-(4-nitrophenyl) ester;o,o-dimethyl o-(4-nitrophenyl) ester phosphorothioic acid;methyl parathion/epn;methyl parathion/xylene;methyl parathion penncap m;methyl parathion pencap m;o,o-dimethyl o-(4-nitrophenyl) thiophosphate;298-00-0","c1(OP(=S)(OC)OC)ccc(N(=O)=O)cc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO",null,"Honma Masamitsu","Mutat Res ,155, 131-134","micronucleus assay",null,"Chromosome aberration","In Vivo",{"$nulls":4},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds|SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"Nitro-aromatic",1,"Nitro-aromatic",1]
["1068-57-1","monoacetyl hydrazine;acetic acid hydrazide;monoacetylhydrazine;acetohydrazide;acetic acid, hydrazide\"\"\";acetic acid, hydrazide","C(C)(=O)NN","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO",null,"Genetic Toxicology Data Bank (GENE-TOX)","Cancer Lett 23:235-240","micronucleus assay",null,"Chromosome aberration","In Vivo",1984,"http://toxnet.nlm.nih.gov/cgi-bin/sis/htmlgen?GENETOX","Mammalia","polychromatic erythrocytes","Nucleophilic addition|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization >> Hydrazine Derivatives|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Hydrazine Derivatives",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Hydrazine",1,"Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Nucleophilic addition|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization >> Hydrazine Derivatives|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Hydrazine Derivatives",1,"Hydrazine",1,"H-acceptor-path3-H-acceptor|Hydrazine",1]
["684-93-5","n-methyl-n-nitrosourea;n-nitroso-n-methylurea;1-nitroso-1-methylurea;methylnitrosourea;n-nitroso-n-methylurea [n-methyl-n-nitrosourea (mnu)];1-methyl-1-nitrosourea;n-methyl-n-nitrosourea (nmu);urea, n-methyl-n-nitroso-;urea, 1-methyl-1-nitroso-;nmh;urea, 1-methyl-1-nitroso- (8ci);684-93-5","C(N)(=O)N(C)N=O","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO","Kawachi T, Yahagi T, Kada T, Tazima Y, Ishidate M, Sasaki M, Sugiyama T","Edward D. Thompson,Comparison of In Vivo and In Vitro Cytogenetic Assay Results,Environmental Mutagenesis 8:753-767,1986","Montesano R, Bartsch H, andTomatis L ,Molecular and Cellular Aspects of Carcinogen Screening T( 4s)","micronucleus assay","Cooperativeprogramme on short-term assays for carcinogenicity in Japan","Chromosome aberration","In Vivo",1980,null,"Rat","bone marrow cells","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2",1,"Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"Alkyl and aryl N-nitroso groups",1,"Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor",1]
["62-75-9","n,n-dimethylnitrosamine;n-nitrosodimethylamine;dimethylnitrosamine;n-nitrosodimethylamine [dimethyl nitrosamine];n-nitrosodimethylamine (n-methyl-n-nitrosomethanamine);nitrosodipropylamine;dimethylnitrosoamine;dimethylnitrosamine (dmn);methanamine, n-methyl-n-nitroso-;n-methyl-n-nitrosomethanamine;nitrosaminese.g.dimethylnitrosoamine;2,2'nitrosoimino)bisethanol;62-75-9","CN(C)N=O","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO","Bauknecht, Th., Vogel, W., Bayer, U. And Wild, D.","Honma Masamitsu","Hum. Genet. 35, 299-307","micronucleus assay","Comparative in vivo mutagenicity testing by SCE and micronucleus induction in mouse bone marrow","Chromosome aberration","In Vivo",1977,{"$nulls":3},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",{"$f":"IF(X66=\"No alert found\",0,1)","v":1},"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2",{"$f":"IF(Z66=\"No alert found\",0,1)","v":1},"Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity",{"$f":"IF(AB66=\"No alert found\",0,1)","v":1},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",{"$f":"IF(AD66=\"No alert found\",0,1)","v":1},"Alkyl and aryl N-nitroso groups",{"$f":"IF(AF66=\"No alert found\",0,1)","v":1},"Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor",{"$f":"IF(AH66=\"No alert found\",0,1)","v":1}]
["6452-73-9","oxprenolol hydrochloride;2-propanol, 1-[(1-methylethyl)amino]-3-[2-(2-propenyloxy)phenoxy]-, hydrochloride\"\"\";2-propanol, 1-[(1-methylethyl)amino]-3-[2-(2-propenyloxy)phenoxy]-, hydrochloride;1-[(1-methylethyl)amino]-3-{[2-(prop-2-en-1-yloxy)phenyl]oxy}propan-2-ol hydrochloride","c1(OCC=C)c(OCC(O)CNC(C)C)cccc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality, Conflict","NO",null,"Genetic Toxicology Data Bank (GENE-TOX)","Toxicol Lett 16:167-174","micronucleus assay",null,"Chromosome aberration","In Vivo",1983,"http://toxnet.nlm.nih.gov/cgi-bin/sis/htmlgen?GENETOX","Mammalia","polychromatic erythrocytes","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["842-07-9","c.i. solvent yellow 14;1-phenylazo-2-naphthol;1-(phenylazo)-2-naphthalenol;c.i. solvent yellow;solvent yellow 14;2-naphthalenol, 1-(phenylazo)-;sudan yellow;1-[(e)-phenyldiazenyl]-2-naphthol;2-naphthalenol, 1-(2-phenyldiazenyl)-","c1(O)c(N=Nc2ccccc2)c2c(cccc2)cc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","N/A","YES","Elliott Bm, Griffiths K, Mackay Jm, Wade Jd.","Honma Masamitsu","Mutagenesis. 12(4):255-8","micronucleus assay","CI solvent yellow 14 shows activity in the bone marrow micronucleus assay in both the rat and mouse","Chromosome aberration","In Vivo",1997,{"$nulls":3},"No alert found",0,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic azo",1,"Aromatic diazo (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aromatic diazo",1,"Aromatic diazo|H-acceptor-path3-H-acceptor",1]
["318-98-9","propranolol hydrochloride;2-propanol, 1-[(1-methylethyl)amino]-3-(1-naphthalenyloxy)-, hydrochloride;1-[(1-methylethyl)amino]-3-(naphthalen-1-yloxy)propan-2-ol hydrochloride","c1(OCC(O)CNC(C)C)c2c(cccc2)ccc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","N/A","YES",null,"Genetic Toxicology Data Bank (GENE-TOX)","Mutat Res 173:207-210","micronucleus assay",null,"Chromosome aberration","In Vivo",1986,"http://toxnet.nlm.nih.gov/cgi-bin/sis/htmlgen?GENETOX","Mammalia","polychromatic erythrocytes","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["75-56-9","propylene oxide;1,2-propylene oxide;oxirane, methyl-;propane, 1,2-epoxy-;oxypropylene\"\"\";methyloxirane;1,2-epoxypropane;oxypropylene;2-methyloxirane;methyloxirane(propyleneoxide);oxypropylene\";75-56-9","C1(C)CO1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO","Morita, T., Asano, N., Awogi, T., Sasaki, Y. F., Sato, S., Shimada, H., Sutou, S., Suzuki, T., Wakata, A., Sofuni, T., & Hayashi, M.","Honma Masamitsu",null,"micronucleus assay","Evaluation of the rodent micronucleus assay in the screening of IARC carcinogens (Groups 1, 2A and 2B). The summar","Chromosome aberration","In Vivo",1997,{"$nulls":3},"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides",1,"Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Epoxides and aziridines",1,"Epoxides and aziridines",1]
["110-44-1","(2e,4e)-hexa-2,4-dienoic acid;2,4-hexadienoic acid, (2e,4e)-;sorbic acid;2,4-hexadienoic acid, (e,e)-;sorbic acid\"\"\";hexa-2,4-dienoic acid;2,4-hexadienoic acid;trans,trans-sorbic acid;110-44-1;(2<i>e</i>,4<i>e</i>)-form","C(=O)(O)C=CC=CC","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","N/A","YES","Jung R, Cojocel C, Muller W, Bottger D, Luck E.","Honma Masamitsu","Food Chem Toxicol.,30(1),1-7;","micronucleus assay","Evaluation of the genotoxic potential of sorbic acid and potassium sorbate","Chromosome aberration","In Vivo",1992,{"$nulls":3},"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["100-42-5","styrene;benzene, ethenyl-;ethenylbenzene;styrene monomer;100-42-5","c1(C=C)ccccc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO","Kligerman, A. D., Allen, J. W., Bryant, M. F., Campbell, J. A., Collins, B. W., Doerr, C. L., Erexson, G. L., Kwanyuen, P., & Morgan, D. L.","Honma Masamitsu","Mutat Res, 280, 35-43","micronucleus assay","Cytogenetic studies of mice exposed to styrene by inhalation","Chromosome aberration","In Vivo",1992,{"$nulls":3},"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0]
["79-34-5","ethane, 1,1,2,2-tetrachloro-;1,1,2,2-tetrachloroethane;tetrachloroethane, 1,1,2,2-;1,1,2,2,-tetrachloroethane;ethane, 1,1,2,2-tetrachloro-\"\"\";ethane, 1,1,2,2-tetrachloro-\";79-34-5","C(Cl)(Cl)C(Cl)Cl","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO","National Toxicology Program","Honma Masamitsu",null,"micronucleus assay","Toxicity Studies of 1,1,2,2-Tetrachloroethane (CAS No. 79-34-5) administered in microcapsules in feed to F344/N rats and B6C3F1 mice","Chromosome aberration","In Vivo",2004,{"$nulls":3},"Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation >> Vicinal Dihaloalkanes|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes",1,"Acylation|Acylation >> P450 Mediated Activation to Acyl Halides|Acylation >> P450 Mediated Activation to Acyl Halides >> 1,1-Dihaloalkanes",1,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Acylation|Acylation >> Direct acyation involving a leaving group|Acylation >> Direct acyation involving a leaving group >> Geminal Polyhaloalkanes|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Geminal Polyhaloalkanes|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Geminal Polyhaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Geminal Polyhaloalkanes",1,"Aliphatic halogens",1,"Aliphatic halogen",1]
["137-26-8","thiram;thioperoxydicarbonic diamide ([(h2n)c(s)]2s2), n,n,n',n'-tetramethyl-;tetramethylthiuram disulfide;thioperoxydicarbonic diamide ([(h2n)c(s)]2s2), tetramethyl-;tetramethylthioperoxydicarbonicdiamide;thioperoxydicarbonic diamide, tetramethyl-;disulfide, bis(dimethylthiocarbamoyl);thioperoxydicarbonic diamide, (Õ(h2n)c(s)å2s2), tetramethyl-\"\"\";tetramethylthiuram (thiuram;tmtd);thioperoxydicarbonic diamide, (Х(h2n)c(s)е2s2), tetramethyl-;[disulfanediylbis(carbonothioylnitrilo)]tetramethane;disulfiram(inn);thiram(inn);tetramethylthioperoxydicarbonic diamide ([(h2n)c(s)]2s2);tetramethylthiuramdisulfide;[dithiobis(carbonothioylnitrilo)]tetramethane;tetramethyl-thioperoxydicarbonic diamide;thioperoxydicarbonic diamide, (Х(h2n)c(s)е2s2), tetramethyl-\";thioperoxydicarbonic diamide (((h2n)c(s))2s2), tetramethyl-;137-26-8","C(=S)(N(C)C)SSC(=S)N(C)C","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO","Dulout, F. N., Olivero, O. A., & Pastori, M. C.","Honma Masamitsu","Mutat Res, 105, 409-412","micronucleus assay","The mutagenic effect of thiram analysed by the micronucleus test and the anaphase-telophase test","Chromosome aberration","In Vivo",1982,{"$nulls":3},"No alert found",0,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"Structural alert for nongenotoxic carcinogenicity|Thiocarbonyl (Nongenotox)",1,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["52-24-4","thio-tepa;thiotepa;tris(1-aziridinyl)phosphine sulfide;1,1',1''-phosphorothioyltriaziridine;aziridine, 1,1',1''-phosphinothioylidynetris-;thiotepa(inn);1,1',1''-phosphinothioylidynetrisaziridine;1,1',1\"-phosphinothioylidynetrisaziridine;52-24-4","C1CN1P(=S)(N1CC1)N1CC1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO",null,"Genetic Toxicology Data Bank (GENE-TOX)","Mutat Res 123:61-118","micronucleus assay",null,"Chromosome aberration","In Vivo",1983,"http://toxnet.nlm.nih.gov/cgi-bin/sis/htmlgen?GENETOX","Mammalia","polychromatic erythrocytes","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Aziridines",1,"Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Epoxides and aziridines",1,"Epoxides and aziridines",1]
["64-77-7","tolbutamide;benzenesulfonamide, n-[(butylamino)carbonyl]-4-methyl-;benzenesulfonamide, n- (butylamino)carbonyl -4-methyl-;urea, 1-butyl-3-(p-tolylsulfonyl)-;benzenesulfonamide, n-((butylamino)carbonyl)-4-methyl-;n-(butylcarbamoyl)-4-methylbenzenesulfonamide;tolbutamide(inn);n-[(butylamino)carbonyl]-4-methylbenzenesulfonamide;64-77-7","c1(S(=O)(=O)NC(=O)NCCCC)ccc(C)cc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO","R.N. Kar, B. Mukherjee And S.K. Mukherjee","Honma Masamitsu","Toxicol Lett., 34, 153-157.","micronucleus assay","Mutagenic evaluation of tolbutamide and glybenclamide on the bone marrow cells of mice","Chromosome aberration","In Vivo",1986,{"$nulls":3},"SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"Acylation|Acylation >> P450 Mediated Activation to Isocyanates or Isothiocyanates|Acylation >> P450 Mediated Activation to Isocyanates or Isothiocyanates >> Sulfonylureas",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["108-88-3","toluene;toulene;benzene, methyl-;methylbenzene;108-88-3","c1(C)ccccc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO","Gad-El-Karim, M. M., Harper, B. L., & Legator, M. S.","Honma Masamitsu","Mutat Res, 135, 225-243; Roh, J., Moon, Y. H., &","micronucleus assay","Modifications in the myeloclastogenic effect of benzene in mice with toluene, phenobarbital, 3-methylcholanthrene, aroclor 1254 and SKF-525A","Chromosome aberration","In Vivo",1984,{"$nulls":3},"No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes",1,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0]
["512-56-1","phosphoric acid, trimethyl ester;trimethylphosphate;trimethyl phosphate;methyl phosphatephosphoric acid, trimethyl ester;512-56-1","COP(=O)(OC)OC","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO","Bruce, W. R. & Heddle, J. A.","Honma Masamitsu","Can. J. Genet. Cytol., 21, 319-334","micronucleus assay","The mutagenic activity of 61 agents as determined by the micronucleus, Salmonella, and sperm abnormality assays","Chromosome aberration","In Vivo",1979,{"$nulls":3},"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"No alert found",0,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid|H-acceptor-path3-H-acceptor",1]
["115-96-8","ethanol, 2-chloro-, phosphate (3:1);tris( 2-chloroethyl) phosphate;tris(chloroethyl) phosphate;tri-2-chloroethyl phosphate;tris(2-chloroethyl)phosphate;tris(2-chloroethyl) phosphate;tris-(2-chloroethyl) phosphate;tris(beta-chloroethylphosphate);tris(2chloroethyl) phosphate;115-96-8","C(Cl)COP(=O)(OCCCl)OCCCl","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO",null,"Genetic Toxicology Data Bank (GENE-TOX)","Eur J Cancer Clin Oncol 18:1337-1344","micronucleus assay",null,"Chromosome aberration","In Vivo",1982,"http://toxnet.nlm.nih.gov/cgi-bin/sis/htmlgen?GENETOX","Mammalia","polychromatic erythrocytes","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid|H-acceptor-path3-H-acceptor",1]
["126-72-7","1-propanol, 2,3-dibromo-, 1,1',1''-phosphate;tris(2,3-dibromopropyl)phosphate;tris(2,3-dibromopropyl) phosphate;tris(2,3-dibromo-1-propyl) phosphate;1-propanol, 2,3-dibromo-, phosphate (3:1);2,3-dibromo-1-propanol, phosphate (3:1);tris (2,3-dibromopropyl) phosphate;126-72-7","C(Br)(COP(=O)(OCC(Br)CBr)OCC(Br)CBr)CBr","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO","Morita, T., Asano, N., Awogi, T., Sasaki, Y. F., Sato, S., Shimada, H., Sutou, S., Suzuki, T., Wakata, A., Sofuni, T., & Hayashi, M.","Honma Masamitsu",null,"micronucleus assay","Evaluation of the rodent micronucleus assay in the screening of IARC carcinogens (Groups 1, 2A and 2B). The summar","Chromosome aberration","In Vivo",1997,{"$nulls":3},"SN2|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation >> Vicinal Dihaloalkanes|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> 1,2-Dihaloalkanes",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation|SN2 >> Internal SN2 reaction with aziridinium and/or cyclic sulfonic ion formation >> Vicinal Dihaloalkanes|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid|H-acceptor-path3-H-acceptor",1]
["51-79-6","carbamic acid, ethyl ester;urethane;ethyl carbamate (urethane);o-ethyl carbamate (urethane);urethane [ethyl carbamate];ethyl carbamate;urethane (ethyl carbamate);51-79-6","C(N)(=O)OCC","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO","Odagiri, Y., Adachi, S., Katayama, H., & Takemoto, K.","Honma Masamitsu","Mutat Res, 170, 79-83","micronucleus assay","Detection of the cytogenetic effect of inhaled aerosols by the micronucleus test","Chromosome aberration","In Vivo",1986,{"$nulls":3},"No alert found",0,"No alert found",0,"Alkyl carbamate and thiocarbamate (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Alkyl carbamate and thiocarbamate",1,"Alkyl carbamate and thiocarbamate|H-acceptor-path3-H-acceptor",1]
["108-05-4","vinyl acetate;acetic acid ethenyl ester;acetic acid vinyl ester;acetic acid, ethenyl ester;vinylacetate;108-05-4","C(C)(=O)OC=C","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO","Elliott BM, Griffiths K, Mackay JM, Wade JD","Honma Masamitsu","Mutagenesis, 12 (4), 255-8","micronucleus assay","CI solvent yellow 14 shows activity in the bone marrow micronucleus assay in both the rat and mouse","Chromosome aberration","In Vivo",1997,{"$nulls":3},"Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Specific Acetate Esters|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Specific Acetate Esters|SN2|SN2 >> Acylating agents|SN2 >> Acylating agents >> Specific Acetate Esters|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Specific Acetate Esters",1,"No alert found",0,"alpha,beta-unsaturated aliphatic alkoxy group (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"alpha,beta-unsaturated aliphatic alkoxy group",1,"alpha,beta-unsaturated aliphatic alkoxy group|H-acceptor-path3-H-acceptor",1]
["15805-73-9","vinyl carbamate;carbamic acid, vinyl ester;ethenyl carbamate","C(N)(=O)OC=C","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO","Seong Gon Kim, Young-Joon Surh, James A. Miller.","Honma Masamitsu","Mutat Res. 260, 309-310","micronucleus assay","Inhibitory effects of chlorophyllin on micronucleus formation induced by ethyl carbamate and its proximate and ultimate carcinogenic forms in mouse peripheral reticulocytes","Chromosome aberration","In Vivo",1999,{"$nulls":3},"No alert found",0,"No alert found",0,"alpha,beta-unsaturated aliphatic alkoxy group (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"alpha,beta-unsaturated aliphatic alkoxy group",1,"alpha,beta-unsaturated aliphatic alkoxy group|H-acceptor-path3-H-acceptor",1]
["75-01-4","vinyl chloride monomer;vinyl chloride;ethene, chloro-;vinylchloride;ethylene chloride;chloroethylene;ethylene, chloro-;chloroethene;vinylchloridemonomer;75-01-4","C(=C)Cl","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO",null,"Genetic Toxicology Data Bank (GENE-TOX)","Mutat Res 122:139-142","micronucleus assay",null,"Chromosome aberration","In Vivo",1983,"http://toxnet.nlm.nih.gov/cgi-bin/sis/htmlgen?GENETOX","Mammalia","polychromatic erythrocytes","No alert found",0,"No alert found",0,"Monohaloalkene (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Monohaloalkene",1,"Monohaloalkene",1]
["25013-15-4","vinyltoluene;benzene, ethenylmethyl-","C(=C)(C)c1ccccc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","Moderate Quality, Conflict","NO","Norppa, H.","Honma Masamitsu","Toxicol Lett, 8, 247-251","micronucleus assay","Styrene and vinyltoluene induce micronuclei in mouse bone marrow","Chromosome aberration","In Vivo",1981,{"$nulls":3},"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0]
["75-07-0","ethanal;acetaldehyde;75-07-0","C(C)=O","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO","Lahdetie, J.","Honma Masamitsu","Mutat Res, 202, 171-178","micronucleus assay","Effects of vinyl acetate and acetaldehyde on sperm morphology and meiotic micronuclei in mice","Chromosome aberration","In Vivo",1988,{"$nulls":3},"No alert found",0,"Schiff base formers|Schiff base formers >> Direct Acting Schiff Base Formers|Schiff base formers >> Direct Acting Schiff Base Formers >> Mono aldehydes",1,"Simple aldehyde (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Simple aldehyde",1,"Simple aldehyde",1]
["50-76-0","actinomycin d;dactinomycin;2-amino-4,6-dimethyl-3-oxo-n,n'-bis[(6s,9r,10s,13r,18as)-2,5,9-trimethyl-1,4,7,11,14-pentaoxo-6,13-di(propan-2-yl)hexadecahydro-1h-pyrrolo[2,1-i][1,4,7,10,13]oxatetraazacyclohexadecin-10-yl]-3h-phenox|azine-1,9-dicarboxamide;2-amino-4,6-dimethyl-3-oxo-n,n'-bis[(6s,9r,10s,13r,18as)-2,5,9-trimethyl-6,13-bis(1-methylethyl)-1,4,7,11,14-pentaoxohexadecahydro-1h-pyrrolo[2,1-i][1,4,7,10,13]oxatetraazacyclohexadecin-10-yl]-3h-phenoxazine-1,9-dicarboxamide;50-76-0","C(=O)(C1C2C(=C(C)C(=O)C=1N)Oc1c(c(C(=O)NC3C(=O)NC(C(C)C)C(=O)N4C(C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC3C)CCC4)ccc1C)N=2)NC1C(=O)NC(C(C)C)C(=O)N2C(C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC1C)CCC2","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO","Hossein Mazdarani, Ali H. Saberi","Honma Masamitsu","Cancer Lett. 78 ( 1-3), 141-150","micronucleus assay","Induction of cytogenetic adaptive response of mouse bone marrow cells to radiation by therapeutic doses of bleomycin sulfate and actinomycin D as assayed by the micronucleus test","Chromosome aberration","In Vivo",1994,{"$nulls":3},"Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinoneimine Derivatives|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|Radical >> ROS formation after GSH depletion >> Quinoneimine Derivatives|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"No alert found",0,"Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinoneimine Derivatives|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Quinoneimine Derivatives",1,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["92-87-5","benzidine;biphenyl-4,4'-diamine;4,4'-diaminobiphenyl;[1,1'-biphenyl]-4,4'-diamine;(1,1'-biphenyl)-4,4'-diamine","c1(-c2ccc(N)cc2)ccc(N)cc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO","Salamone, M. F., Heddle, J. A., & Katz, M.","Honma Masamitsu","Prog Mutat Res, 1, 686-697","micronucleus assay","Mutagenic activity of 41 compounds in the in vivo micronucleus assay","Chromosome aberration","In Vivo",1981,{"$nulls":3},"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"Primary aromatic amine, hydroxyl amine and its derived esters",1]
["3068-88-0","beta-butyrolactone;4-methyl-2-oxetanone;4-methyloxetan-2-one;2-oxetanone, 4-methyl-;(1)-4-methyloxetan-2-one","C1(=O)CC(C)O1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO","Morita, T., Asano, N., Awogi, T., Sasaki, Y. F., Sato, S., Shimada, H., Sutou, S., Suzuki, T., Wakata, A., Sofuni, T., & Hayashi, M.","Honma Masamitsu",null,"micronucleus assay","Evaluation of the rodent micronucleus assay in the screening of IARC carcinogens (Groups 1, 2A and 2B). The summar","Chromosome aberration","In Vivo",1997,{"$nulls":3},"Michael addition|Michael addition >> alpha, beta-unsaturated carabonyl compounds|Michael addition >> alpha, beta-unsaturated carabonyl compounds >> Four- and Five-Membered Lactones|SN2|SN2 >> Ring opening SN2 reaction|SN2 >> Ring opening SN2 reaction >> Four- and Five-Membered Lactones",1,"SN2|SN2 >> Ring opening SN2 Reaction|SN2 >> Ring opening SN2 Reaction >> Lactones",1,"Propiolactones or propiosultones (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Michael addition|Michael addition >> alpha, beta-unsaturated carabonyl compounds|Michael addition >> alpha, beta-unsaturated carabonyl compounds >> Four- and Five-Membered Lactones|SN2|SN2 >> Ring opening SN2 reaction|SN2 >> Ring opening SN2 reaction >> Four- and Five-Membered Lactones",1,"Propiolactones or propiosultones",1,"H-acceptor-path3-H-acceptor|Propiolactones or propiosultones",1]
["477-30-5","demecolcin;(s)-1,2,3,10-tetramethoxy-7-methylamino-6,7-dihydro-5h-benzo[a]heptalen-9-one;colcemid;demecolcine;colcemid (ic);1,2,3,10-tetramethoxy-7-(methylamino)-6,7-dihydrobenzo[a]heptalen-9(5h)-one;(7s)-7-(methylamino)-1,2,3,10-tetrakis(methyloxy)-6,7-dihydrobenzo[a]heptalen-9(5h)-one;benzo(a)heptalen-9(5h)-one, 6,7-dihydro-1,2,3,10-tetramethoxy-7-(methylamino)-, (s)-;<i>n</i>-deacetylcolchicine;(<i>s</i>)-form, <i>n</i>-me","C12C(c3c(OC)c(OC)c(OC)cc3CCC1NC)=CC=C(OC)C(=O)C=2","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO",null,"Genetic Toxicology Data Bank (GENE-TOX)","Mutat Res 123:61-118","micronucleus assay",null,"Chromosome aberration","In Vivo",1983,"http://toxnet.nlm.nih.gov/cgi-bin/sis/htmlgen?GENETOX","Mammalia","polychromatic erythrocytes","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones",1,"alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"alpha,beta-unsaturated carbonyls",1,"1,3-dialkoxy-benzene|alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor",1]
["91-94-1","[1,1'-biphenyl]-4,4'-diamine, 3,3'-dichloro-;3,3'-dichlorobenzidine;3,3'-dichloro-[1,1'-biphenyl]-4,4'-diamine;1,1'-biphenyl -4,4'-diamine, 3,3'-dichloro-;benzidine, 3,3'-dichloro-;Х1,1'-biphenylе-4,4'-diamine, 3,3'-dichloro-;3,3'-dichlorobiphenyl-4,4'-diamine;3,3?dichlorobenzidine;3,3''-dichlorobenzidine;(1,1'-biphenyl)-4,4'-diamine, 3,3'-dichloro-","c1(-c2cc(Cl)c(N)cc2)cc(Cl)c(N)cc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO",null,"Genetic Toxicology Data Bank (GENE-TOX)","Mutagenesis 2:267-269","micronucleus assay",null,"Chromosome aberration","In Vivo",1987,"http://toxnet.nlm.nih.gov/cgi-bin/sis/htmlgen?GENETOX","Mammalia","polychromatic erythrocytes","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"Primary aromatic amine, hydroxyl amine and its derived esters",1]
["298-18-0","dl-1,2:3,4-diepoxybutane;d,l-diepoxybutane;1,2:3,4-diepoxybutane dl;2,2'-bioxirane;1,2,3,4-diepoxybutane;2,2’-bioxirane, (r,r)-(±)-;deb;2,2'-bioxirane, (theta,theta)-(+/-)-","C1(C2CO2)CO1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO","Russo,A, Nogara,C, Renzi,L And Tommasi,Am","Romualdo Benigni","Mutat. Res. 390:129-139","micronucleus assay","Micronucleus Induction In Germ And Somatic Cells Of The Mouse After Exposure To The Butadiene Metabolites Diepoxybutane And Epoxybutene","Chromosome aberration","In Vivo",1997,"CCRIS","Mouse","bone marrow cells","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides",1,"Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Epoxides and aziridines",1,"Epoxides and aziridines|H-acceptor-path3-H-acceptor",1]
["759-73-9","n-ethyl-n-nitrosourea;1-ethyl-1-nitrosourea;n-nitroso-n-ethylurea [n-ethyl-n-nitrosourea (enu)] [1-ethyl-1-nitrosoruea];n-ethyl-n-nitrosourea (enu);urea, n-ethyl-n-nitroso-;nitrosoethyl urea;urea, 1-ethyl-1-nitroso-;759-73-9","C(N)(=O)N(CC)N=O","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO","Collaborative Study Group","Honma Masamitsu","Mutat Res, 204, 307-316","micronucleus assay","Strain difference in the micronucleus test","Chromosome aberration","In Vivo",1988,{"$nulls":3},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2",1,"Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"Alkyl and aryl N-nitroso groups",1,"Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor",1]
["50-00-0","formaldehyde;formaldehyde [bsi:iso];methanal;formalin;formaldehyde (act. 37%);formaldehyde/isopropanol incubator fumigant;formaldehyde surflo formulation;formaldehyde mixture(surf flo b17);formaldehyde (surflo b315)","C=O","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO","Gocke, E., King, M.-T., Eckhardt, K., & Wild, D.","Honma Masamitsu","Mutat Res, 90, 91-109","micronucleus assay","Mutagenicity of cosmetics ingredients licensed by the European communities","Chromosome aberration","In Vivo",1981,{"$nulls":3},"No alert found",0,"Schiff base formers|Schiff base formers >> Direct Acting Schiff Base Formers|Schiff base formers >> Direct Acting Schiff Base Formers >> Mono aldehydes",1,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0]
["2353-45-9","fast green fcf;food green no. 3 (pure)","c1(C(c2c(S(=O)(=O)O)cc(O)cc2)=C2C=CC(=N(Cc3cc(S(=O)(=O)O)ccc3)CC)C=C2)ccc(N(Cc2cc(S(=O)(=O)O)ccc2)CC)cc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","Low Quality, Conflict","NO","Misra Rn, Misra B.","Honma Masamitsu","Mutation Res., 170, 75-8","micronucleus assay","Genetic toxicological testing of some dyes by the micronucleus test","Chromosome aberration","In Vivo",1986,{"$nulls":3},"No alert found",0,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["53-86-1","indomethacin;[1-(4-chloro-benzoyl)-5-methoxy-2-methyl-1h-indol-3-yl]-acetic acid;indomethancin;indometacin;1h-indole-3-acetic acid, 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-;{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl-1h-indol-3-yl}acetic acid;1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1h-indole-3-acetic acid;[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1h-indol-3-yl]acetic acid","C1(CC(=O)O)c2c(ccc(OC)c2)N(C(=O)c2ccc(Cl)cc2)C=1C","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO",null,"Genetic Toxicology Data Bank (GENE-TOX)","Mutat Res 188:343-347","micronucleus assay",null,"Chromosome aberration","In Vivo",1987,"http://toxnet.nlm.nih.gov/cgi-bin/sis/htmlgen?GENETOX","Mammalia","polychromatic erythrocytes","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> 5-alkoxyindoles",1,"Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["520-18-3","kaempferol;3,5,7-trihydroxy-2-(4-hydroxy-phenyl)-chromen-4-one;3,4',5,7-tetrahydroxyflavone;3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4h-chromen-4-one;3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4h-1-benzopyran-4-one;4h-1-benzopyran-4-one, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-","C1(O)C(=O)c2c(O)cc(O)cc2OC=1c1ccc(O)cc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO",null,"Genetic Toxicology Data Bank (GENE-TOX)","Mutat Res 89:69-74","micronucleus assay",null,"Chromosome aberration","In Vivo",1981,"http://toxnet.nlm.nih.gov/cgi-bin/sis/htmlgen?GENETOX","Mammalia","polychromatic erythrocytes","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["57-39-6","metepa;tris(2-methylaziridin-1-yl)phosphine oxide;aziridine, 1,1’,1’’-phosphinylidynetris[2-methyl-;aziridine, 1,1',1''-phosphinylidynetris[2-methyl-;1,1',1''-phosphoryltris(2-methylaziridine);aziridine, 1,1',1''-phosphinylidynetris 2-methyl-;phosphine oxide, tris(2-methyl-1-aziridinyl)-;aziridine, 1,1',1''-phosphinylidynetris(2-methyl-;1,1',1''-phosphinylidynetris[2-methyl]aziridine;apo;57-39-6","C1(C)CN1P(=O)(N1C(C)C1)N1C(C)C1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO","Richardson, J. C.","Honma Masamitsu","Mutation Res., 26, 391-394","micronucleus assay","A preliminary assessment of the cytogenetic effects of METEPA on mouse bone marrow using the micronucleus test","Chromosome aberration","In Vivo",1974,{"$nulls":3},"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Aziridines",1,"Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Epoxides and aziridines",1,"Epoxides and aziridines|H-acceptor-path3-H-acceptor",1]
["74-83-9","methyl bromide;methane, bromo-;bromomethane;methane, bromo-\"\"\";methyl bromide [bsi:iso];bromomethane(methyl bromide iso);methane, bromo-\";74-83-9","CBr","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO","Ikawa, N., Araki, A., Nozaki, K., & Matsushima, T.","Honma Masamitsu","Mutation Res., 164, 269","micronucleus assay","Micronucleus test of methylbromide by the sub-chronic inhalation test","Chromosome aberration","In Vivo",1986,{"$nulls":3},"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Monohaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Monohaloalkanes|SN2 >> Ring opening SN2 reaction|SN2 >> Ring opening SN2 reaction >> Monohaloalkanes",1,"SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Aliphatic halides",1,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Monohaloalkanes|SN2|SN2 >> Nucleophilic substitution at sp3 Carbon atom|SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Monohaloalkanes|SN2 >> Ring opening SN2 reaction|SN2 >> Ring opening SN2 reaction >> Monohaloalkanes",1,"Aliphatic halogens",1,"Aliphatic halogen",1]
["101-14-4","benzenamine, 4,4'-methylenebis[2-chloro-;3,3'-dichloro-4,4'-diaminodiphenylmethane;4,4'-methylenebis(2-chloroaniline);4,4'-methylene-bis(2-chloroaniline);benzenamine, 4,4-methylenebis[2-chloro-;4,4'-methylenebis(2-chlorobenzenamine);4,4'-methylenebis[2-chloroaniline];benzenamine, 4,4’-methylenebis[2-chloro-;benzenamine, 4,4'-methylenebis 2-chloro-;aniline, 4,4'-methylenebisХ2-chloro-;benzenamine, 4,4'-methylenebisХ2-chloro-;methylenebis(chloroaniline);4,4´-methylenebis(2-chloroaniline);3,3''-dichloro-4,4''-diaminodiphenylmethane;aniline, 4,4'-methylenebis(2-chloro- (8ci);101-14-4","c1(N)c(Cl)cc(Cc2cc(Cl)c(N)cc2)cc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO",null,"Genetic Toxicology Data Bank (GENE-TOX)","Mutat Res 123:61-118","micronucleus assay",null,"Chromosome aberration","In Vivo",1983,"http://toxnet.nlm.nih.gov/cgi-bin/sis/htmlgen?GENETOX","Mammalia","polychromatic erythrocytes","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"Primary aromatic amine, hydroxyl amine and its derived esters",1]
["64091-91-4","4-(n-methyl-n-nitrosamino)-1-(3-pyridyl)-1-butanone;4-(methylnitrosamino)-1-(3-pyridyl)-1-(butanone);nnk;nnk (carcinogen);4-(n-nitroso-n-methylamino)-1-(3-pyridyl)-1-butanone;ketone, 3-pyridyl 3-(n-methyl-n-nitrosamino)propyl;4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone;4-[methyl(nitroso)amino]-1-pyridin-3-ylbutan-1-one","C(=O)(c1cccnc1)CCCN(C)N=O","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO","P.R.Padma, A.J.Amonkar and S.V.Bhide","Honma Masamitsu","Cancer Letters, 46, 173-180","micronucleus assay","Mutagenic and cytogenetic studies of N-nitrosonornicotine and 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone","Chromosome aberration","In Vivo",1989,{"$nulls":3},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2",1,"Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"Alkyl and aryl N-nitroso groups",1,"Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor",1]
["50-07-7","mitomycin-c;mitomycin c;mitomycin;azirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione, 6-amino-8-[[(aminocarbonyl)oxy]methyl]-1,1a,2,8,8a,8b-hexahydro-8a-methoxy-5-methyl-, (1as,8s,8ar,8bs)-;[(1as,8s,8ar,8bs)-6-amino-8a-methoxy-5-methyl-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-8-yl]methyl carbamate;azirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione, 6-amino-8-[[(aminocarbonyl)oxy]methyl]-1,1a,2,8,8a,8b-hexahydro-8a-methoxy-5-methyl-, [1as-(1a.alpha.,8.beta.,8a.alpha.,8b.alpha.)]-;[1ar-(1a alpha, 8 beta, 8a alpha, 8b alpha])-6-amino-8-[[(aminocarbonyl)oxy]methyl]-1,1a, 2,8,8a,8b-hexahydro-8a-methoxy-5-methylazirinol[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione;azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, 6-amino-8-(((aminocarbonyl)oxy)methyl)-1,1a,2,8,8a,8b-hexahydro-8a-methoxy-5-methyl-, (1as,8s,8ar,8bs)-;50-07-7","C12C(=O)C(C)=C(N)C(=O)C=1C(COC(N)=O)C1(OC)C3C(CN21)N3","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO","Bruce, W. R. & Heddle, J. A.","Honma Masamitsu","Can. J. Genet. Cytol., 21, 319-334","micronucleus assay","The mutagenic activity of 61 agents as determined by the micronucleus, Salmonella, and sperm abnormality assays","Chromosome aberration","In Vivo",1979,{"$nulls":3},"Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines|SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Aziridines",1,"Alkyl carbamate and thiocarbamate (Genotox)|Epoxides and aziridines (Genotox)|Quinones (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones|SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Alkyl carbamate and thiocarbamate|Epoxides and aziridines|Quinones",1,"Alkyl carbamate and thiocarbamate|Epoxides and aziridines|H-acceptor-path3-H-acceptor|Quinones",1]
["51-75-2","nitrogen mustard;mechlorethamine;chlormethine;2-chloro-n-(2-chloroethyl)-n-methylethanamine;ethanamine, 2-chloro-n-(2-chloroethyl)-n-methyl-;chlormethine(inn) anditssalts;51-75-2","C(Cl)CN(C)CCCl","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO","Bruce, W. R. & Heddle, J. A.","Honma Masamitsu","Can. J. Genet. Cytol., 21, 319-334","micronucleus assay","The mutagenic activity of 61 agents as determined by the micronucleus, Salmonella, and sperm abnormality assays","Chromosome aberration","In Vivo",1979,{"$nulls":3},"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Nitrogen Mustards",1,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines|SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> Mustards",1,"S or N mustard (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Nitrogen Mustards",1,"S or N mustard",1,"S or N mustard",1]
["126-85-2","nitrogen mustard n-oxide","C(Cl)CN(C)(=O)CCCl","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","Low Quality, Conflict","NO","Schlegel, R., & Macgregor J. T.","Honma Masamitsu","Mutat Res, 113, 481-7","micronucleus assay","A rapid screen for cumulative chromosomal damage in mice. Accumulation of circulating micronucleated erythrocytes","Chromosome aberration","In Vivo",1983,{"$nulls":3},"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Nitrogen Mustards",1,"SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> Mustards",1,"Aliphatic halogens (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Nitrogen Mustards",1,"Aliphatic halogens",1,"Aliphatic halogen",1]
["7227-91-0","3,3-dimethyl-1-phenyltriazene;1-phenyl-3,3-dimethyltriazene;n,n-dimethyltriazenobenzene;n,n-dimethyltriazenobenzene\"\"\";3,3-dimethyl-1-phenyltriaz-1-ene;(1e)-3,3-dimethyl-1-phenyltriaz-1-ene;n,n-dimethyltriazenobenzene\";1-triazene, 3,3-dimethyl-1-phenyl- (9ci)","c1(N=NN(C)C)ccccc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO",null,"Genetic Toxicology Data Bank (GENE-TOX)","Mutat Res 123:61-118","micronucleus assay",null,"Chromosome aberration","In Vivo",1983,"http://toxnet.nlm.nih.gov/cgi-bin/sis/htmlgen?GENETOX","Mammalia","polychromatic erythrocytes","SN2|SN2 >> Carbenium Ion Formation|SN2 >> Carbenium Ion Formation >> Acyclic Triazenes",1,"No alert found",0,"Azide and triazene groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Carbenium Ion Formation|SN2 >> Carbenium Ion Formation >> Acyclic Triazenes",1,"Azide and triazene groups",1,"Azide and triazene groups|H-acceptor-path3-H-acceptor",1]
["1120-71-4","1,3-propane sultone;1,2-oxathiolane, 2,2-dioxide;propane sultone;2,2-dioxide-1,2-oxathiolane;1,3-propanesultone;1-propanesulfonic acid, 3-hydroxy-, .gamma.-sultone;1,2-oxathiolane 2,2-dioxide;1,3propanesultone","C1CCOS1(=O)=O","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO","Morita, T., Asano, N., Awogi, T., Sasaki, Y. F., Sato, S., Shimada, H., Sutou, S., Suzuki, T., Wakata, A., Sofuni, T., & Hayashi, M.","Honma Masamitsu",null,"micronucleus assay","Evaluation of the rodent micronucleus assay in the screening of IARC carcinogens (Groups 1, 2A and 2B). The summar","Chromosome aberration","In Vivo",1997,{"$nulls":3},"SN2|SN2 >> Ring opening SN2 reaction|SN2 >> Ring opening SN2 reaction >> Sultones|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Sulfonates and Sulfates",1,"SN2|SN2 >> Ring opening SN2 Reaction|SN2 >> Ring opening SN2 Reaction >> Sultones",1,"Propiolactones or propiosultones (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Ring opening SN2 reaction|SN2 >> Ring opening SN2 reaction >> Sultones|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Sulfonates and Sulfates",1,"Propiolactones or propiosultones",1,"H-acceptor-path3-H-acceptor|Propiolactones or propiosultones",1]
["816-57-9","n-propyl-n-nitrosourea;1-propyl-1-nitrosourea;propylnitrosourea;1-propyl-nitrosourea;1-nitroso-1-propylurea;urea, 1-nitroso-1-propyl- (8ci);816-57-9","C(N)(=O)N(CCC)N=O","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO","T. Suzuki, S. Itoh, M. Nakajima, N. Hachiya And T. Hara","Honma Masamitsu",null,"micronucleus assay","Target organ and time-course in the mutagenicity of five carcinogens in MutaTM Mouse: a summary report of the second collaborative study of the transgenic mouse mutation assay by JEMS/MMS, Mu","Chromosome aberration","In Vivo",1999,{"$nulls":3},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2",1,"Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"Alkyl and aryl N-nitroso groups",1,"Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor",1]
["127-47-9","vitamin a acetate;retinol acetate;retinol;retinol, acetate, all-trans-;retinol, acetate\"\"\";retinol, acetate;o~15~-acetylretinol;retinol, acetate, all-trans- (8ci);ac","C1(C)(C)C(C=CC(C)=CC=CC(C)=CCOC(C)=O)=C(C)CCC1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","N/A","YES","Kawachi T, Yahagi T, Kada T, Tazima Y, Ishidate M, Sasaki M, Sugiyama T","Edward D. Thompson,Comparison of In Vivo and In Vitro Cytogenetic Assay Results,Environmental Mutagenesis 8:753-767,1986","Montesano R, Bartsch H, andTomatis L ,Molecular and Cellular Aspects of Carcinogen Screening T( 4s)","micronucleus assay","Cooperativeprogramme on short-term assays for carcinogenicity in Japan","Chromosome aberration","In Vivo",1980,null,"Rat","bone marrow cells","Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Specific Acetate Esters|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Specific Acetate Esters|SN2|SN2 >> Acylating agents|SN2 >> Acylating agents >> Specific Acetate Esters|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Specific Acetate Esters",1,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["148-79-8","thiabendazole;2-thiazol-4-yl-1h-benzoimidazole;thiabendazol;2-(4-thiazolyl)-benzimazole;1h-benzimidazole, 2-(4-thiazolyl)-;2-(1,3-thiazol-4-yl)-1h-benzimidazole;2-(4-thiazolyl)-1h-benzimidazole;148-79-8","C1(C2=CSC=N2)=Nc2c(cccc2)N1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO",null,"Genetic Toxicology Data Bank (GENE-TOX)","Mutat Res 188:1-6","micronucleus assay",null,"Chromosome aberration","In Vivo",1987,"http://toxnet.nlm.nih.gov/cgi-bin/sis/htmlgen?GENETOX","Mammalia","polychromatic erythrocytes","No alert found",0,"No alert found",0,"Imidazole, benzimidazole (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["68-76-8","trenimon;triaziquone;2,3,5-tris(aziridin-1-yl)cyclohexa-2,5-diene-1,4-dione","C1(N2CC2)C(=O)C(N2CC2)=C(N2CC2)C(=O)C=1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO","Seiler,J. P.","Honma Masamitsu","Experientia,31,214-215","micronucleus assay","In vivo mutagenic interaction of nitrite and ethylene thiourea","Chromosome aberration","In Vivo",1975,{"$nulls":3},"Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones|SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Michael addition|Michael addition >> Quinones and Quinone-type Chemicals|Michael addition >> Quinones and Quinone-type Chemicals >> Quinones|SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Aziridines",1,"Epoxides and aziridines (Genotox)|Quinones (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones|SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Epoxides and aziridines|Quinones",1,"Epoxides and aziridines|H-acceptor-path3-H-acceptor|Quinones",1]
["865-21-4","vinblastine;vincaleukoblastine","C(=O)(C1(c2c(OC)cc3c(C45C(C(O)(C(=O)OC)C(OC(C)=O)C6(CC)C=CCN(C46)CC5)N3C)c2)C2=C(c3c(cccc3)N2)CCN2CC(O)(CC)CC(C2)C1)OC","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO",null,"Genetic Toxicology Data Bank (GENE-TOX)","Mutat Res 123:61-118","micronucleus assay",null,"Chromosome aberration","In Vivo",1983,"http://toxnet.nlm.nih.gov/cgi-bin/sis/htmlgen?GENETOX","Mammalia","polychromatic erythrocytes","Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Specific Acetate Esters|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Specific Acetate Esters|SN2|SN2 >> Acylating agents|SN2 >> Acylating agents >> Specific Acetate Esters|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Specific Acetate Esters",1,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine",1,"No alert found",0,"Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Specific Acetate Esters|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Specific Acetate Esters|SN2|SN2 >> Acylating agents|SN2 >> Acylating agents >> Specific Acetate Esters|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Specific Acetate Esters",1,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["87-61-6","1,2,3-trichlorobenzene;trichlorobenzene, 1,2,3-;benzene, 1,2,3-trichloro-;1,2,3-trichlorbenzene;87-61-6","c1(Cl)c(Cl)c(Cl)ccc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO",null,"Genetic Toxicology Data Bank (GENE-TOX)","Mutagenesis 2:111-113","micronucleus assay",null,"Chromosome aberration","In Vivo",1987,"http://toxnet.nlm.nih.gov/cgi-bin/sis/htmlgen?GENETOX","Mammalia","polychromatic erythrocytes","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0]
["108-91-8","cyclohexanamine;cyclohexylamine;cyclohexylamine.hcl;aminocyclohexane;108-91-8","C1(N)CCCCC1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO","Holden He","Edward D. Thompson,Comparison of In Vivo and In Vitro Cytogenetic Assay Results,Environmental Mutagenesis 8:753-767,1986","J ApplToxicol, 2, 196-200","micronucleus assay","Comparison of somatic and germ cell models for cytogenetic screening","Chromosome aberration","In Vivo",1982,"CCRIS","Rat","bone marrow cells","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0]
["120-82-1","1,2,4-trichlorobenzene;trichlorobenzene, 1,2,4-;benzene, 1,2,4-trichloro-;1,2,4-trichlorbenzene;120-82-1","c1(Cl)c(Cl)cc(Cl)cc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO",null,"Genetic Toxicology Data Bank (GENE-TOX)","Mutagenesis 2:111-113","micronucleus assay",null,"Chromosome aberration","In Vivo",1987,"http://toxnet.nlm.nih.gov/cgi-bin/sis/htmlgen?GENETOX","Mammalia","polychromatic erythrocytes","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0]
["301-12-2","metasystox-r;oxydemeton-methyl;oxydemeton methyl;metasystox r;s-[2-(ethylsulfinyl)ethyl] o,o-dimethyl phosphorothioate;phosphorothioic acid, s-[2-(ethylsulfinyl)ethyl] o,o-dimethyl ester;phosphorothioic acid, s-(2-(ethylsulfinyl)ethyl) o,o-dimethyl ester;301-12-2","C(CS(=O)CC)SP(=O)(OC)OC","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO",null,"Genetic Toxicology Data Bank (GENE-TOX)","Mutat Res 78:385-387","micronucleus assay",null,"Chromosome aberration","In Vivo",1980,"http://toxnet.nlm.nih.gov/cgi-bin/sis/htmlgen?GENETOX","Mammalia","polychromatic erythrocytes","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"No alert found",0,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid|H-acceptor-path3-H-acceptor",1]
["541-73-1","benzene, 1,3-dichloro-;1,3-dichlorobenzene;dichlorobenzene, 1,3-;m-dichlorobenzene;1,3-di-chlorobenzene;3-dichlorobenzene;benzene, m-dichloro-","c1(Cl)cc(Cl)ccc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO",null,"Genetic Toxicology Data Bank (GENE-TOX)","Mutagenesis 2:111-113","micronucleus assay",null,"Chromosome aberration","In Vivo",1987,"http://toxnet.nlm.nih.gov/cgi-bin/sis/htmlgen?GENETOX","Mammalia","polychromatic erythrocytes","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0]
["6923-22-4","(e)-monocrotophos;monocrotophos;azodrin;dimethyl (2e)-4-(methylamino)-4-oxobut-2-en-2-yl phosphate;phosphoric acid, dimethyl 1-methyl-3-(methylamino)-3-oxo-1-propenyl ester, (e)-;phosphoric acid dimethyl (1e)-1-methyl-3-(methylamino)-3-oxo-1-propen-1-yl ester;monocrotophos (cancelled in u.s.);phosphoric acid, dimethyl ester, ester with (e)-3-hydroxy-n-methylcrotonamide;6923-22-4","C(=O)(C=C(C)OP(=O)(OC)OC)NC","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO",null,"Genetic Toxicology Data Bank (GENE-TOX)","Mutat Res 78:385-387","micronucleus assay",null,"Chromosome aberration","In Vivo",1980,"http://toxnet.nlm.nih.gov/cgi-bin/sis/htmlgen?GENETOX","Mammalia","polychromatic erythrocytes","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"No alert found",0,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid (Genotox)|alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid|alpha,beta-unsaturated carbonyls",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid|alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor",1]
["10605-21-7","carbamic acid, n-1h-benzimidazol-2-yl-, methyl ester;methyl benzimidazole-2-ylcarbamate;carbendazim;carbamic acid, 1h-benzimidazol-2-yl-, methyl ester;carbendazin;methyl 1h-benzimidazole-2-carbamate;1h-benzimidazol-2-yl carbamic acid, methyl ester;2-benzimidazolecarbamic acid, methyl ester;methyl 1h-benzimidazol-2-ylcarbamate;n-1h-benzimidazol-2-yl carbamic acid methyl ester;methyl 2-benzimidazolecarbamate;carbendazim (benomyl metabolite);1h-benzimidazol-2-yl carbamic acid methyl ester;10605-21-7","c12c(cccc1)N=C(NC(=O)OC)N2","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO","Committee on Mutagenicity of Chemicals in Food,Consumer Products and The Environment","Committee on mutagenicity of chemicals in food,consumer products and the environment,Benzimidazoles:an approach to defining a common aneugenic Grouping,COM/07/S3-April 2007",null,"micronucleus assay","Benzimidazoles:An Approach to Defining a Common Aneugenic Grouping, COM/07/S3","Chromosome aberration","In Vivo",2007,null,null,"bone marrow cells","No alert found",0,"No alert found",0,"Alkyl carbamate and thiocarbamate (Genotox)|Imidazole, benzimidazole (Nongenotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"No alert found",0,"Alkyl carbamate and thiocarbamate",1,"Alkyl carbamate and thiocarbamate|H-acceptor-path3-H-acceptor",1]
["13171-21-6","phosphamidon;(2z)-3-chloro-4-(diethylamino)-4-oxobut-2-en-2-yl dimethyl phosphate;phosphoric acid, 2-chloro-3-(diethylamino)-1-methyl-3-oxo-1-propenyl dimethyl ester;phosphoric acid, dimethyl ester, ester with 2-chloro-n,n-diethyl-3-hydroxycrotonamide;13171-21-6","C(=O)(C(Cl)=C(C)OP(=O)(OC)OC)N(CC)CC","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","N/A","YES",null,"Genetic Toxicology Data Bank (GENE-TOX)","Indian J Exp Biol 18:1145-1147","micronucleus assay",null,"Chromosome aberration","In Vivo",1980,"http://toxnet.nlm.nih.gov/cgi-bin/sis/htmlgen?GENETOX","Mammalia","polychromatic erythrocytes","SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid (Genotox)|alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid|alpha,beta-unsaturated carbonyls",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid|alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor",1]
["23564-05-8","carbamic acid, [1,2-phenylenebis(iminocarbonothioyl)]bis-, dimethyl ester;thiophanate;thiophanate-methyl;methylthiophanate;thiophanate, methyl ester;dimethyl (1,2-phenylenedicarbamothioyl)biscarbamate;thiophanatemethyl;n,n'-[1,2-phenylenebis(iminocarbonothioyl)]bis-c,c'- dimethyl ester carbamic acid;thiophanate-methyl zyban formulation;[1,2-phenylene bis(iminocarbonothioyl)]bis carbamic acid, diethyl ester;carbamic acid, (1,2-phenylenebis(iminocarbonothioyl))bis-, dimethyl ester;23564-05-8","c1(NC(=S)NC(=O)OC)c(NC(=S)NC(=O)OC)cccc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO","Committee on Mutagenicity of Chemicals in Food,Consumer Products and The Environment","Committee on mutagenicity of chemicals in food,consumer products and the environment,Benzimidazoles:an approach to defining a common aneugenic Grouping,COM/07/S3-April 2007",null,"micronucleus assay","Benzimidazoles:An Approach to Defining a Common Aneugenic Grouping, COM/07/S3","Chromosome aberration","In Vivo",2007,null,null,"bone marrow cells","SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"No alert found",0,"Alkyl carbamate and thiocarbamate (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity|Thiocarbonyl (Nongenotox)",1,"No alert found",0,"Alkyl carbamate and thiocarbamate",1,"Alkyl carbamate and thiocarbamate|H-acceptor-path3-H-acceptor",1]
["52315-07-8","cyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-, cy;cypermethrin;nrdc-149;cypermethrin (cis);cypermethrin (trans);±-cyano-3-phenoxybenzyl 3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate;cyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-, cyano(3-phenoxyphenyl)methyl ester;?-cyano-3-phenoxybenzyl 3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate;cypermethrin [ban];cyano(3-phenoxyphenyl)methyl 3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate;3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylic acid cyano(3-phenoxyphenyl)methyl ester;cypermethrin beta;cypermethrin gfu 070 formulation;cypermethrin 3 phenoxy benzoic acid degradate;zeta-cypermethrin;(rs)-alpha-cyano-3-phenoxybenzyl (1rs,3rs)-(1rs,3rs)-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate","C(#N)C(c1cc(Oc2ccccc2)ccc1)OC(=O)C1C(C)(C)C1C=C(Cl)Cl","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","N/A","YES",null,"Genetic Toxicology Data Bank (GENE-TOX)","Mutat Res 155:135-142","micronucleus assay",null,"Chromosome aberration","In Vivo",1985,"http://toxnet.nlm.nih.gov/cgi-bin/sis/htmlgen?GENETOX","Mammalia","polychromatic erythrocytes","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"1-phenoxy-benzene|H-acceptor-path3-H-acceptor",1]
["65907-30-4","furathiocarb;n-thio-(n'-me-o-bu-carbamyl)carbofuran;2,3-dihydro-2,2-dimethyl-7-benzofuryl 2,4-dimethyl-6-oxa-5-oxo-3-thia-2,4-diazadecanoate;butyl 2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl sulfanediylbis(methylcarbamate);benzofuran, 2,3-dihydro-2,2-dimethyl-7-(n-(n-methyl-n-butoxycarbonylaminothio)-n-methylcarbamoyloxy)-;65907-30-4","c1(OC(=O)N(C)SN(C)C(=O)OCCCC)c2c(ccc1)CC(C)(C)O2","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO","T.Morita, Asano N., Awogi T., Sasaki Yu F., Evaluation Of The Rodent Micronucleus Asasy In The Screening Of Iarc Carcinogens","Danish EPA","Mutation Research ,3-122","micronucleus assay","The summary report of the 6th collaborative study by CSGMT/JEMC MMC","Chromosome aberration","In Vivo",1997,null,"Mouse",null,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["91465-08-6","(r+s)-alpha-cyano-3-phenoxybenzyl (1s+1r)-cis-3-(z-2-chloro-3,3,3-trif;lambda-cyhalothrin;cyhalothrin;cyclopropanecarboxylic acid, 3-[(1z)-2-chloro-3,3,3-trifluoro-1-propen-1-yl]-2,2-dimethyl-, (r)-cyano(3-phenoxyphenyl)methyl ester, (1s,3s)-rel-;cyclopropanecarboxylic acid, 3-(2-chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethyl-, cyano(3-phenoxyphenyl)methyl ester,[1.alpha.(s*),3.alpha.(z)]-(.+-.)-;(1s,3s)-rel-2,2-dimethyl-3-[(1z)-2-chloro-3,3,3-trifluoro-1-propenyl]cyclopropanecarboxylic acid (r)-cyano(3-phenoxyphenyl)methyl ester;lambda-cyhalothrin 25cs formulation;lambda cyhalothrin;lambda-cyhalothrin(active-inactive component);lambda-cyhalothrin pp 321 formulation;lambda-cyhalothrin 25 cs formulation;cyclopropanecarboxylic acid, 3-(2-chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethyl-, cyano(3-phenoxyphenyl)methyl ester, (1-alpha(s*),3-alpha(z))- (+-)-;91465-08-6","C(F)(F)(F)C(Cl)=CC1C(C)(C)C1C(=O)OC(c1cc(Oc2ccccc2)ccc1)C#N","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","N/A","YES","Celik,A Mazmanci,B Camlica,Y Askin,A and Comelekoglu,U","Romualdo Benigni","Mutation Res., 539 (1-2), 91-97","micronucleus assay","Cytogenetic Effects of Lambda-Cyhalothrin on Wistar Rat Bone Marrow","Chromosome aberration","In Vivo",2003,"CCRIS","Rat","bone marrow cells","No alert found",0,"No alert found",0,"Monohaloalkene (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Monohaloalkene",1,"1-phenoxy-benzene|H-acceptor-path3-H-acceptor|Monohaloalkene",1]
["60-09-3","4-aminoazobenzene;4-phenylazoaniline;4-phenylazo-phenylamine;p-phenylazoaniline;p-aminoazobenzene;solvent yellow 1;p-(phenylazo)aniline;benzenamine, 4-(phenylazo)-;c.i. solvent yellow 1;4-[(e)-phenyldiazenyl]aniline;4aminoazobenzene;4-(phenylazo)benzenamine;para-aminoazobenzene;4-(phenyldiazenyl)aniline;c.i. solvent yellow 1 (8ci)","c1(N)ccc(N=Nc2ccccc2)cc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","N/A","YES","Morita, T., Asano, N., Awogi, T., Sasaki, Y. F., Sato, S., Shimada, H., Sutou, S., Suzuki, T., Wakata, A., Sofuni, T., & Hayashi, M.","Honma Masamitsu",null,"micronucleus assay","Evaluation of the rodent micronucleus assay in the screening of IARC carcinogens (Groups 1, 2A and 2B). The summar","Chromosome aberration","In Vivo",1997,{"$nulls":3},"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic azo|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Aromatic diazo (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Aromatic diazo|Primary aromatic amine,hydroxyl amine and its derived esters",1,"Aromatic diazo|H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["62-50-0","ethyl methanesulfonate;methanesulfonic acid;ethyl methanesulphonate;methanesulfonic acid, ethyl ester;ethyl methanesulfonate (ems);et ester","C(C)OS(C)(=O)=O","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO","Bruce, W. R. & Heddle, J. A.","Honma Masamitsu","Can. J. Genet. Cytol., 21, 319-334","micronucleus assay","The mutagenic activity of 61 agents as determined by the micronucleus, Salmonella, and sperm abnormality assays","Chromosome aberration","In Vivo",1979,{"$nulls":3},"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Sulfonates and Sulfates",1,"SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Sulfonates",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Sulfonates and Sulfates",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid|H-acceptor-path3-H-acceptor",1]
["64-67-5","diethyl sulfate;diethyl sulphate;sulfuric acid, diethyl ester;diethylsulphate;sulfuric acid diethyl ester;64-67-5","C(C)OS(=O)(=O)OCC","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO","Akihiro Wakata, Miyamae. Y., Sato, S., Hayashi, M","Akihiro Wakata, Miyamae. Y., Sato, S., Hayashi, M.,Environmantal and Molecular Mutagenesis 32,84-100,1998","Environmantal and Molecular Mutagenesis, 32,84-100","micronucleus assay",null,"Chromosome aberration","In Vivo",1998,null,"Mouse","bone marrow cells","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Sulfonates and Sulfates",1,"SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Sulfates",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Sulfonates and Sulfates",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid|H-acceptor-path3-H-acceptor",1]
["75-55-8","propyleneimine;2-methylaziridine;1,2-propyleneimine propyleneimine;propylenimine;aziridine, 2-methyl-;2methylaziridine;75-55-8","C1(C)CN1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO","Akihiro Wakata, Miyamae. Y., Sato, S., Hayashi, M","Akihiro Wakata, Miyamae. Y., Sato, S., Hayashi, M.,Environmantal and Molecular Mutagenesis 32,84-100,1998","Environmantal and Molecular Mutagenesis, 32,84-100","micronucleus assay",null,"Chromosome aberration","In Vivo",1998,null,"Mouse","bone marrow cells","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Aziridines",1,"Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Epoxides and aziridines",1,"Epoxides and aziridines",1]
["77-78-1","dimethyl sulfate;dimethylsulfate;dimethyl sulphate;sulfuric acid, dimethyl ester;dimethylsulphate;77-78-1","COS(=O)(=O)OC","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO","T.Morita, Asano N., Awogi T., Sasaki Yu F., Evaluation Of The Rodent Micronucleus Asasy In The Screening Of Iarc Carcinogens","Danish EPA","Mutation Research ,3-122","micronucleus assay","The summary report of the 6th collaborative study by CSGMT/JEMC MMC","Chromosome aberration","In Vivo",1997,null,"Mouse",null,"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Sulfonates and Sulfates",1,"SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Sulfates",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Sulfonates and Sulfates",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid|H-acceptor-path3-H-acceptor",1]
["119-93-7","[1,1'-biphenyl]-4,4'-diamine, 3,3'-dimethyl-;3,3'-dimethylbenzidine;3,3'-dimethylbenzidine dihydrochloride;3,3'-dimethyl-biphenyl-4,4'-diamine;bianisidine;[1,1-biphenyl]-4,4-diamine, 3,3-dimethyl-;tolidine;3,3'-tolidine;4,4'-diamino-3,3'-dimethylbiphenyl;4,4'-bi-o-toluidine;[1,1’-biphenyl]-4,4’-diamine, 3,3’-dimethyl-;3,3-dimethylbenzidine;orthotolidine;3,3'-dimethylbiphenyl-4,4'-diamine;4,4?biotoluidine(orthotolidine);3,3'-dimethyl-[1,1'-biphenyl]-4,4'-diamine;3,3''-dimethylbenzidine;o-tolidine;(1,1'-biphenyl)-4,4'-diamine, 3,3'-dimethyl-","c1(-c2cc(C)c(N)cc2)cc(C)c(N)cc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO",null,"Genetic Toxicology Data Bank (GENE-TOX)","Mutat Res 123:61-118","micronucleus assay",null,"Chromosome aberration","In Vivo",1983,"http://toxnet.nlm.nih.gov/cgi-bin/sis/htmlgen?GENETOX","Mammalia","polychromatic erythrocytes","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"Primary aromatic amine, hydroxyl amine and its derived esters",1]
["134-32-7","1-naphthalenamine;1-aminonaphthalene;1-naphthylamine;naphthalen-1-ylamine;1-naphtylamine;naphthalen-1-amine;1and2naphthylaminesandtheirsalts;alpha-naphthylamine;1-naphthylenamine","c1(N)c2c(cccc2)ccc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO",null,"Genetic Toxicology Data Bank (GENE-TOX)","Mutat Res 123:61-118","micronucleus assay",null,"Chromosome aberration","In Vivo",1983,"http://toxnet.nlm.nih.gov/cgi-bin/sis/htmlgen?GENETOX","Mammalia","polychromatic erythrocytes","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",{"$f":"IF(X130=\"No alert found\",0,1)","v":1},"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",{"$f":"IF(Z130=\"No alert found\",0,1)","v":1},"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",{"$f":"IF(AB130=\"No alert found\",0,1)","v":1},"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",{"$f":"IF(AD130=\"No alert found\",0,1)","v":1},"Primary aromatic amine,hydroxyl amine and its derived esters",{"$f":"IF(AF130=\"No alert found\",0,1)","v":1},"Primary aromatic amine, hydroxyl amine and its derived esters",{"$f":"IF(AH130=\"No alert found\",0,1)","v":1}]
["147-94-4","cytosine arabinoside;cytarabine;cytosine arabinoside cytarabine;2(1h)-pyrimidinone, 4-amino-1-?-d-arabinofuranosyl-;4-amino-1-(beta-d-arabinofuranosyl)pyrimidin-2(1h)-one;2(1h)-pyrimidinone, 4-amino-1-.beta.-d-arabinofuranosyl-;4-amino-1-beta-d-arabinofuranosyl-2(1h)pyrimidinone;2(1h)-pyrimidinone, 4-amino-1-beta-d-arabinofuranosyl-","C1(N)C=CN(C2C(O)C(O)C(CO)O2)C(=O)N=1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO",null,"Genetic Toxicology Data Bank (GENE-TOX)","Mutat Res 91:67-69","micronucleus assay",null,"Chromosome aberration","In Vivo",1981,"http://toxnet.nlm.nih.gov/cgi-bin/sis/htmlgen?GENETOX","Mammalia","polychromatic erythrocytes","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor|Oxolane",1]
["613-35-4","n,n-diacetylbenzidine;n,n'-diacetylbenzidine;n,n'-[1,1'-biphenyl]-4,4'-diylbisacetamide;acetamide, n,n'-[1,1'-biphenyl]-4,4'-diylbis-;n,n'-biphenyl-4,4'-diyldiacetamide;acetamide, n,n'-(1,1'-biphenyl)-4,4'-diylbis-","c1(-c2ccc(NC(C)=O)cc2)ccc(NC(C)=O)cc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO","Akihiro Wakata, Miyamae. Y., Sato, S., Hayashi, M","Akihiro Wakata, Miyamae. Y., Sato, S., Hayashi, M.,Environmantal and Molecular Mutagenesis 32,84-100,1998","Environmantal and Molecular Mutagenesis, 32,84-100","micronucleus assay",null,"Chromosome aberration","In Vivo",1998,null,"Rat","bone marrow cells","No alert found",0,"No alert found",0,"Aromatic N-acyl amine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aromatic N-acyl amine",1,"Aromatic N-acyl amine|H-acceptor-path3-H-acceptor",1]
["671-16-9","procarbazine;benzamide, n-(1-methylethyl)-4-[(2-methylhydrazino)methyl]-;4-[(2-methylhydrazinyl)methyl]-n-(propan-2-yl)benzamide;n-(1-methylethyl)-4-[(2-methylhydrazino)methyl]benzamide;benzamide, n-(1-methylethyl)-4-((2-methylhydrazino)methyl)- (9ci)","C(=O)(c1ccc(CNNC)cc1)NC(C)C","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO","King Mt, Wild D.","Honma Masamitsu","Human Genetics 51, 183-194; Bayer U.","micronucleus assay","Transplacental mutagenesis: the micronucleus test on fetal mouse blood","Chromosome aberration","In Vivo",1979,{"$nulls":3},"No alert found",0,"No alert found",0,"Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Hydrazine",1,"H-acceptor-path3-H-acceptor|Hydrazine",1]
["823-40-5","2,6-diaminotoluene;2,6-toluenediamine dihydrochloride;2-methyl-m-phenylenediamine;1,3-benzenediamine, 2-methyl-;toluene-2,6-diamine;2-methylbenzene-1,3-diamine;2methylmphenylenediamine(toluene2,6diamine);1,3-diamino-2-methylbenzene","c1(N)c(C)c(N)ccc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO","Shelby MD, Erexson GL, Hook GJ, Tice RR","J Kielhorn,Mutagenicity testing with transgenic mice. Part I: Comparison with the mouse bone marrow micronucleus testJournal of Carcinogenesis 2005,4:3","Environ Mol Mutagen , 21, 160-179","micronucleus assay","Evaluation of a Threeexposure Mouse Bone Marrow Micronucleus Protocol: Results With 49 Chemicals","Chromosome aberration","In Vivo",1993,null,null,"bone marrow cells","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"Primary aromatic amine, hydroxyl amine and its derived esters",1]
["4342-03-04","dacarbazine;imidazol-4-conh2-5(33dime-1-triazeno);dacarbazine [usan:ban:inn:jan];4-[(1e)-3,3-dimethyltriaz-1-en-1-yl]-1h-imidazole-5-carboxamide;1h-imidazole-4-carboxamide, 5-(3,3-dimethyl-1-triazenyl)-","C(N)(=O)C1=C(N=NN(C)C)NC=N1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO","Morita, T., Asano, N., Awogi, T., Sasaki, Y. F., Sato, S., Shimada, H., Sutou, S., Suzuki, T., Wakata, A., Sofuni, T., & Hayashi, M.","Honma Masamitsu",null,"micronucleus assay","Evaluation of the rodent micronucleus assay in the screening of IARC carcinogens (Groups 1, 2A and 2B). The summar","Chromosome aberration","In Vivo",1997,{"$nulls":3},"SN2|SN2 >> Carbenium Ion Formation|SN2 >> Carbenium Ion Formation >> Acyclic Triazenes",1,"No alert found",0,"alpha,beta-unsaturated carbonyls (Genotox)|Azide and triazene groups (Genotox)|Imidazole, benzimidazole (Nongenotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"SN2|SN2 >> Carbenium Ion Formation|SN2 >> Carbenium Ion Formation >> Acyclic Triazenes",1,"alpha,beta-unsaturated carbonyls|Azide and triazene groups",1,"alpha,beta-unsaturated carbonyls|Azide and triazene groups|H-acceptor-path3-H-acceptor",1]
["20830-81-3","daunomycin;daunamycin;daunorubicin;5,12-naphthacenedione, 8-acetyl-10-[(3-amino-2,3,6-trideoxy-?-l-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, (8s,10s)-;(1s,3s)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-alpha-l-lyxo-hexopyranoside;(8s-cis)-8-acetyl-10-[(3-amino-2,3,6-trideoxy-alpha-l-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-5,12-naphthacenedine;5,12-naphthacenedione, 8-acetyl-10-((3-amino-2,3,6-trideoxy-alpha-l-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, (8s,10s)-;20830-81-3","c12C(=O)c3c(C(=O)c1c(O)c1c(c2O)C(OC2CC(N)C(O)C(C)O2)CC(O)(C(C)=O)C1)cccc3OC","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","N/A","YES","Akihiro Wakata, Miyamae. Y., Sato, S., Hayashi, M","Akihiro Wakata, Miyamae. Y., Sato, S., Hayashi, M.,Environmantal and Molecular Mutagenesis 32,84-100,1998","Environmantal and Molecular Mutagenesis, 32,84-100","micronucleus assay",null,"Chromosome aberration","In Vivo",1998,null,"Rat","bone marrow cells","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Alkyl phenols",1,"Quinones (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones",1,"Quinones",1,"H-acceptor-path3-H-acceptor|Quinones",1]
["105650-23-5","2-amino-1-methyl-6-phenylimidazo[4,5-b]pyridine (phip);phip.hcl;2-amino-1methyl-6-phenylimidazo [4,5-b]pyridine (phip);1h-imidazo(4,5-b)pyridin-2-amine, 1-methyl-6-phenyl- (9ci)","c1(-c2cc3c(N=C(N)N3C)nc2)ccccc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO","Durling,LJK and Abramsson-Zetterber,L","Romualdo Benigni","Mutation Res., 580, (1-2), 103-110","micronucleus assay","A Comparison of Genotoxicity Between Three Common Heterocyclic Amines and Acrylamide","Chromosome aberration","In Vivo",2005,"CCRIS","Mouse","bone marrow cells","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"No alert found",0,"Imidazole, benzimidazole (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["66-81-9","cicloheximide;cycloheximide;cycloheximide (chx);4-{(2r)-2-[(1s,3s,5s)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl}piperidine-2,6-dione;2,6-piperidinedione, 4-[2-(3,5-dimethyl-2-oxocyclohexyl)-2-hydroxyethyl]-, [1s-[1.alpha.(s*),3.alpha.,5.beta.]]-;4-[(2r)-2-[(1s,3s,5s)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl]-2,6-piperidinedione;[1s-[1alpha(s*),3alpha,5beta]]-4-[2-(3,5-dimethyl-2-oxocyclohexyl)-2-hydroxymethyl]-2,6-piperidinedione;2,6-piperidinedione, 4-(2-(3,5-dimethyl-2-oxocyclohexyl)-2-hydroxyethyl)-, (1s-(1alpha(s*),3alpha,5beta))-;4-[2-(3,5-dimethyl-2-oxocyclohexyl)-2-hydroxyethyl]-2,6-piperidinedione;(1<i>s</i>,3<i>s</i>,5<i>s</i>,?<i>r</i>)-form","C1(=O)C(C(O)CC2CC(=O)NC(=O)C2)CC(C)CC1C","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","N/A","YES","Bruce, W.R., And J.A.Heddle","John A. Haddle, Mark Hite,Barbara Kirkhart,Mutation Research,123,61-118,1983","Can. J. Genet. Cytol., 21, 319-334","micronucleus assay",null,"Chromosome aberration","In Vivo",1979,null,"Mouse","bone marrow cells","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["96-33-3","methyl acrylate;2-propenoic acid, methyl ester;acrylic acid methyl ester","C(=O)(C=C)OC","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO",null,"Genetic Toxicology Data Bank (GENE-TOX)","Mutat Res 135:189-191","micronucleus assay",null,"Chromosome aberration","In Vivo",1984,"http://toxnet.nlm.nih.gov/cgi-bin/sis/htmlgen?GENETOX","Mammalia","polychromatic erythrocytes","No alert found",0,"Michael addition|Michael addition >> Polarised Alkenes-Michael addition|Michael addition >> Polarised Alkenes-Michael addition >> Alpha, beta- unsaturated esters",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["494-03-1","n,n-bis(2-chloroethyl)-2-naphthylamine;chlornaphazine;chloronaphazine;n,n-bis(2-chloroethyl)naphthalen-2-amine;2-naphthalenamine, n,n-bis(2-chloroethyl)- (9ci)","c12c(cc(N(CCCl)CCCl)cc1)cccc2","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO","J.Ashby, C.Loquet,M.Ishidate,Jr.,R.D.Callander,And R.Albanese","Honma Masamitsu","Environ Mol Mutagen.,12,365-374.","micronucleus assay","Mutagenicity to Bacteria, Cultured Cells, and Rodents of the Human Carcinogen Chlornaphazine","Chromosome aberration","In Vivo",1988,{"$nulls":3},"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Nitrogen Mustards",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine|SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> Mustards",1,"S or N mustard (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"S or N mustard",1,"S or N mustard",1]
["624-83-9","methyl isocyanate;methylisocyanate;methane, isocyanato-;isocyanic acid, methyl ester;isocyanatomethane;624-83-9","C(=O)=NC","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO",null,"Genetic Toxicology Data Bank (GENE-TOX)","Environ Mutagen 9:37-58","micronucleus assay",null,"Chromosome aberration","In Vivo",1987,"http://toxnet.nlm.nih.gov/cgi-bin/sis/htmlgen?GENETOX","Mammalia","polychromatic erythrocytes","No alert found",0,"Acylation|Acylation >> Isocyanates and Isothiocyanates|Acylation >> Isocyanates and Isothiocyanates >> Isocyanates",1,"Isocyanate and isothiocyanate groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Isocyanate and isothiocyanate groups",1,"Isocyanate and isothiocyanate groups",1]
["680-31-9","phosphoric triamide, n,n,n',n',n'',n''-hexamethyl-;hexamethylphosphoric triamide;hexamethylphosphoramide;hexametapol;hexamethyl phosphoramide;hempa;phosphorictrisdimethylamide;phosphoric triamide, hexamethyl-;n,n,n',n',n'',n''-hexamethylphosphoric triamide;hexamethylphosphorictriamide;hexamethyl phosphoric triamide;680-31-9","CN(C)P(=O)(N(C)C)N(C)C","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO",null,"Genetic Toxicology Data Bank (GENE-TOX)","Mutat Res 123:61-118","micronucleus assay",null,"Chromosome aberration","In Vivo",1983,"http://toxnet.nlm.nih.gov/cgi-bin/sis/htmlgen?GENETOX","Mammalia","polychromatic erythrocytes","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["2426-08-06","1-butoxy-2,3-epoxypropane;oxirane, 2-(butoxymethyl)-;glycidyl n-butyl ether;butyl glycidyl ether;n-butyl glycidyl ether;oxirane, (butoxymethyl)-;butyl 2,3-epoxypropyl ether;propane, 1-butoxy-2,3-epoxy-;2-(butoxymethyl)oxirane;butyl glycidylether;(butoxymethyl)oxirane;bge;2426-08-6","C1(COCCCC)CO1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO",null,"Genetic Toxicology Data Bank (GENE-TOX)","Environ Mutagen 2:521-530","micronucleus assay",null,"Chromosome aberration","In Vivo",1980,"http://toxnet.nlm.nih.gov/cgi-bin/sis/htmlgen?GENETOX","Mammalia","polychromatic erythrocytes","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides",1,"Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Epoxides and aziridines",1,"Epoxides and aziridines|H-acceptor-path3-H-acceptor",1]
["21739-91-3","cytembena;sodium (2e)-3-bromo-4-(4-methoxyphenyl)-4-oxobut-2-enoate","C(Br)(C(=O)c1ccc(OC)cc1)=CC(=O)O","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","Low Quality, Conflict","NO",null,"Genetic Toxicology Data Bank (GENE-TOX)","Mutat Res 123:61-118","micronucleus assay",null,"Chromosome aberration","In Vivo",1983,"http://toxnet.nlm.nih.gov/cgi-bin/sis/htmlgen?GENETOX","Mammalia","polychromatic erythrocytes","SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives",1,"No alert found",0,"Alkylbenzenes (Genotox)|alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives",1,"alpha,beta-unsaturated carbonyls",1,"alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor",1]
["23214-92-8","doxorubicin;(8s,10s)-10-((2r,4s,5s,6s)-4-amino-5-hydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-6,8,11-trihydroxy-8-(2-hydroxy-acetyl)-1-methoxy-7,8,9,10-tetrahydro-naphthacene-5,12-dione;adriamycin;5,12-naphthacenedione, 10-[(3-amino-2,3,6-trideoxy-à-l-l*y*xo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, (8s-cis)-;5,12-naphthacenedione, 10-[(3-amino-2,3,6-trideoxy-?-l-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, (8s-cis)-;(1s,3s)-3,5,12-trihydroxy-3-(hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-alpha-l-lyxo-hexopyranoside;(8s-cis)-10-[(3-amino-2,3,6-trideoxy-alpha-l-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-5,12-naphthacenedione;(1s,3s)-3,5,12-trihydroxy-3-(hydroxyacetyl)-10-(methyloxy)-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-alpha-l-lyxo-hexopyranoside;5,12-naphthacenedione, 10-((3-amino-2,3,6-trideoxy-alpha-l-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, (8s-cis)-","c12C(=O)c3c(C(=O)c1c(O)c1c(c2O)C(OC2CC(N)C(O)C(C)O2)CC(O)(C(=O)CO)C1)cccc3OC","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO",null,"Genetic Toxicology Data Bank (GENE-TOX)","Mutat Res 123:61-118","micronucleus assay",null,"Chromosome aberration","In Vivo",1983,"http://toxnet.nlm.nih.gov/cgi-bin/sis/htmlgen?GENETOX","Mammalia","polychromatic erythrocytes","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Alkyl phenols",1,"Quinones (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones",1,"Quinones",1,"H-acceptor-path3-H-acceptor|Quinones",1]
["51264-14-3","amsacrine;acridinylanisidide;methanesulfonamide, n-[4-(9-acridinylamino)-3-methoxyphenyl]-;amsa, m-;n-[4-(acridin-9-ylamino)-3-methoxyphenyl]methanesulfonamide;methanesulfonamide, n-(4-(9-acridinylamino)-3-methoxyphenyl)-","c12c(c(Nc3c(OC)cc(NS(C)(=O)=O)cc3)c3c(cccc3)n1)cccc2","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO",null,"Genetic Toxicology Data Bank (GENE-TOX)","Mutat Res 138:87-91","micronucleus assay",null,"Chromosome aberration","In Vivo",1984,"http://toxnet.nlm.nih.gov/cgi-bin/sis/htmlgen?GENETOX","Mammalia","polychromatic erythrocytes","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Heterocyclic Polycyclic Aromatic Hydrocarbons",1,"H-acceptor-path3-H-acceptor|Heterocyclic Polycyclic Aromatic Hydrocarbons",1]
["87-66-1","pyrogallol (1,2,3-trihydroxybenzene);pyrogallol;benzene-1,2,3-triol;1,2,3-trihydroxybenzene;1,2,3-benzenetriol","c1(O)c(O)c(O)ccc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO",null,"Genetic Toxicology Data Bank (GENE-TOX)","Mutat Res 90:91-109","micronucleus assay",null,"Chromosome aberration","In Vivo",1981,"http://toxnet.nlm.nih.gov/cgi-bin/sis/htmlgen?GENETOX","Mammalia","polychromatic erythrocytes","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["108-86-1","benzene, bromo-;bromobenzene;monobromobenzene;108-86-1","c1(Br)ccccc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO",null,"Genetic Toxicology Data Bank (GENE-TOX)","Mutagenesis 2:111-113","micronucleus assay",null,"Chromosome aberration","In Vivo",1987,"http://toxnet.nlm.nih.gov/cgi-bin/sis/htmlgen?GENETOX","Mammalia","polychromatic erythrocytes","No alert found",0,"No alert found",0,"Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"No alert found",0]
["548-83-4","galangin;3,5,7-trihydroxyflavone;galangin (3,5,7-trihydroxyflavone);3,5,7-trihydroxy-2-phenyl-4-benzopyrone;3,5,7-trihydroxy-2-phenyl-4h-chromen-4-one;4h-1-benzopyran-4-one, 3,5,7-trihydroxy-2-phenyl- (9ci)","C1(O)C(=O)c2c(O)cc(O)cc2OC=1c1ccccc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO",null,"Genetic Toxicology Data Bank (GENE-TOX)","Mutat Res 124:255-270","micronucleus assay",null,"Chromosome aberration","In Vivo",1983,"http://toxnet.nlm.nih.gov/cgi-bin/sis/htmlgen?GENETOX","Mammalia","polychromatic erythrocytes","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["108-70-3","1,3,5-trichlorobenzene;trichlorobenzene, 1,3,5-;1,3,5-tri-chlorobenzene;benzene, 1,3,5-trichloro-;108-70-3","c1(Cl)cc(Cl)cc(Cl)c1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO",null,"Genetic Toxicology Data Bank (GENE-TOX)","Mutagenesis 2:111-113","micronucleus assay",null,"Chromosome aberration","In Vivo",1987,"http://toxnet.nlm.nih.gov/cgi-bin/sis/htmlgen?GENETOX","Mammalia","polychromatic erythrocytes","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0]
["540-73-8","1,2-dimethylhydrazine dihydrochloride;1,2-dimethylhydrazine;hydrazine, 1,2-dimethyl-;540-73-8","CNNC","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","Moderate Quality","NO","Akihiro Wakata, Miyamae. Y., Sato, S., Hayashi, M","Akihiro Wakata, Miyamae. Y., Sato, S., Hayashi, M.,Environmantal and Molecular Mutagenesis 32,84-100,1998","Environmantal and Molecular Mutagenesis, 32,84-100","micronucleus assay",null,"Chromosome aberration","In Vivo",1998,null,"Mouse","bone marrow cells","No alert found",0,"No alert found",0,"Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Hydrazine",1,"H-acceptor-path3-H-acceptor|Hydrazine",1]
["2095-06-09","2-oxiranemethanamine, n-(2-oxiranylmethyl)-n-phenyl-;diglycidylaniline;n,n-bis(2,3-epoxypropyl)aniline;oxiranemethanamine, n-(oxiranylmethyl)-n-phenyl-;aniline, n,n-bis(2,3-epoxypropyl)-;n,n-bis(oxiran-2-ylmethyl)aniline;2095-06-9","c1(N(CC2CO2)CC2CO2)ccccc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO","Seiler Jp","Edward D. Thompson,Comparison of In Vivo and In Vitro Cytogenetic Assay Results,Environmental Mutagenesis 8:753-767,1986","Mutation Res., 135, 159-167","micronucleus assay","The mutagenicity of mono- and di-functional aromatic glycidyl compounds. Mutat Res 135: 159-166","Chromosome aberration","In Vivo",1984,"CCRIS & NTP","Mouse","bone marrow cells","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine|SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides",1,"Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Epoxides and aziridines",1,"Epoxides and aziridines|H-acceptor-path3-H-acceptor",1]
["51-18-3","2,4,6-tris(1-aziridinyl)-s-triazine;2,4,6-tris(1-aziridinyl)-1,3,5-triazine;tretamine;triethylenemelamine;2,4,6-tris(aziridin-1-yl)-1,3,5-triazine;tretamine(inn);1,3,5-triazine, 2,4,6-tris(1-aziridinyl)-","c1(N2CC2)nc(N2CC2)nc(N2CC2)n1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO","Levine BS, Pergament E, Driscoll K","Edward D. Thompson,Comparison of In Vivo and In Vitro Cytogenetic Assay Results,Environmental Mutagenesis 8:753-767,1986","Toxicol Lett., 10, 281-285","micronucleus assay","Dose- and time-response relationships of triethylenemine-induced chromosomal aberrations in rat bone marrow cells","Chromosome aberration","In Vivo",1982,null,"Rat","bone marrow cells","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Aziridines",1,"Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Epoxides and aziridines",1,"Epoxides and aziridines",1]
["76-43-7","fluoxymesterone;androst-4-en-3-one, 9-fluoro-11,17-dihydroxy-17-methyl-, (11?,17?)-;fluoxymestrone;androst-4-en-3-one, 9-fluoro-11,17-dihydroxy-17-methyl-;(11beta,17beta)-9-fluoro-11,17-dihydroxy-17-methylandrost-4-en-3-one;androst-4-en-3-one, 9-fluoro-11,17-dihydroxy-17-methyl-, (11.beta.,17.beta.)-;9.alpha.-fluoro-11.beta.-hydroxy-17-methyltestosterone","C12C(C)(C3(F)C(C4C(C)(C(C)(O)CC4)CC3O)CC1)CCC(=O)C=2","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","N/A","YES","Dhillon,V.S., J. Singh, H. Singh And R.S. Kler","Romualdo Benigni","Mutation Res., 342 (3-4), 103-111","micronucleus assay","IN VITRO AND IN VIVO GENOTOXICITY OF HORMONAL DRUGS. VI. FLUOXYMESTERONE","Chromosome aberration","In Vivo",1995,"CCRIS","Mouse","bone marrow cells","No alert found",0,"No alert found",0,"(Poly) Halogenated Cycloalkanes (Nongenotox)|alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for nongenotoxic carcinogenicity|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"No alert found",0,"alpha,beta-unsaturated carbonyls",1,"alpha,beta-unsaturated carbonyls",1]
["83-67-0","theobromine;3,7-dimethyl-3,7-dihydro-purine-2,6-dione;1h-purine-2,6-dione, 3,7-dihydro-3,7-dimethyl-\";1h-purine-2,6-dione, 3,7-dihydro-3,7-dimethyl-;3,7-dimethyl-3,7-dihydro-1h-purine-2,6-dione","C1(=O)C2=C(N(C)C(=O)N1)N=CN2C","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality, Conflict","NO",null,"Genetic Toxicology Data Bank (GENE-TOX)","Mutat Res 103:275-281","micronucleus assay",null,"Chromosome aberration","In Vivo",1982,"http://toxnet.nlm.nih.gov/cgi-bin/sis/htmlgen?GENETOX","Mammalia","polychromatic erythrocytes","SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["62450-07-1","3-amino-1-methyl-5h-pyrido[4,3-b]indole;trp-p-2 acetate;1-methyl-5h-pyrido[4,3-b]indol-3-amine;5h-pyrido(4,3-b)indole, 3-amino-1-methyl-","c12-c3c(cc(N)nc3C)Nc1cccc2","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","Moderate Quality","NO","T.Morita, Asano N., Awogi T., Sasaki Yu F., Evaluation Of The Rodent Micronucleus Asasy In The Screening Of Iarc Carcinogens","Danish EPA","Mutation Research ,3-122","micronucleus assay","The summary report of the 6th collaborative study by CSGMT/JEMC MMC","Chromosome aberration","In Vivo",1997,null,"Mouse",null,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Heterocyclic Polycyclic Aromatic Hydrocarbons|Primary aromatic amine,hydroxyl amine and its derived esters",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["589-41-3","n-hydroxyurethane;ethyl hydroxycarbamate","C(=O)(NO)OCC","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO","Wild Dieter","John A. Haddle, Mark Hite,Barbara Kirkhart,Mutation Research,123,61-118,1983","Mutation Res. 56,  319-327.","micronucleus assay",null,"Chromosome aberration","In Vivo",1978,null,"Mouse","bone marrow cells","SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> N-hydroxylamines",1,"No alert found",0,"No alert found",0,"SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> N-hydroxylamines",1,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["930-22-3","3,4-epoxy-1-butene;oxirane, ethenyl-;3,4-epoxybut-1-ene;1,2-epoxy-3-butene;2-ethenyloxirane;1-butene, 3,4-epoxy-","C(=C)C1CO1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO","Fred,C, Grawe,J, and Toernqvist,M; Hemoglobin Adducts And Micronuclei In Rodents After Treatment With Isoprene Monoxide Or Butadiene Monoxide; Mutat. Res. 585","Romualdo Benigni","Mutation Res., 585 (1-2), 21-32","micronucleus assay","Hemoglobin Adducts and Micronuclei in Rodents after Treatment with Isoprene Monoxide or Butadiene Monoxide","Chromosome aberration","In Vivo",2005,"CCRIS","Mouse","bone marrow cells","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides",1,"Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Epoxides and aziridines",1,"Epoxides and aziridines",1]
["6804-07-05","carbadox;hydrazinecarboxylic acid, [(1,4-dioxido-2-quinoxalinyl)methylene]-, methyl ester;methyl (2e)-2-[(1,4-dioxidoquinoxalin-2-yl)methylene]hydrazinecarboxylate;(2-quinoxalinylmethylene)hydrazinecarboxylic acid, methyl ester, n,n'-dioxide;hydrazinecarboxylic acid, (2-quinoxalinylmethylene)-, methyl ester n(sup 1),n(sup 4)-dioxide;6804-07-5","c12c(cccc1)n(=O)c(C=NNC(=O)OC)cn2=O","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO","K. H. Mavournin, Blakey D.H., Cimino M.C.,Salamonem.F, And Heddle, J. A, The In Vivo Micronucleus Assay In Mammahan Bone Marrow Andperipheralblood","Danish EPA","Mutation Research, 239, 29-80","micronucleus assay","A Report Of The U.S. Environmental Protection Agency Gene-Tox Program","Chromosome aberration","In Vivo",1990,null,"Mouse",null,"No alert found",0,"No alert found",0,"Aromatic ring N-oxide (Genotox)|Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aromatic ring N-oxide|Hydrazine",1,"Aromatic ring N-oxide|H-acceptor-path3-H-acceptor|Hydrazine",1]
["59-14-3","5-bromodeoxyuridine;5-bromo-2’-deoxyuridine;broxuridine;uridine, 5-bromo-2’-deoxy-;5-bromo-2'-deoxyuridine (brdu);uridine, 5-bromo-2'-deoxy-;5-bromo-2'-deoxyuridine;5-bromo-2-deoxyuridine;59-14-3","C1(=O)C(Br)=CN(C2CC(O)C(CO)O2)C(=O)N1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","N/A","YES",null,"Genetic Toxicology Data Bank (GENE-TOX)","Mutat Res 123:61-118","micronucleus assay",null,"Chromosome aberration","In Vivo",1983,"http://toxnet.nlm.nih.gov/cgi-bin/sis/htmlgen?GENETOX","Mammalia","polychromatic erythrocytes","SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives|SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives",1,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives",1,"alpha,beta-unsaturated carbonyls",1,"alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor|Oxolane",1]
["926-06-7","2-propanol;isopropyl methanesulfonate;isopropylmethanesulfonate;isopropyl methanesulphonate;methanesulfonic acid, 1-methylethyl ester;propan-2-yl methanesulfonate;methanesulfonyl","C(C)(C)OS(C)(=O)=O","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO",null,"Genetic Toxicology Data Bank (GENE-TOX)","Toxicol Lett 7:329-334","micronucleus assay",null,"Chromosome aberration","In Vivo",1981,"http://toxnet.nlm.nih.gov/cgi-bin/sis/htmlgen?GENETOX","Mammalia","polychromatic erythrocytes","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Sulfonates and Sulfates",1,"SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Sulfonates",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Sulfonates and Sulfates",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid",1,"Alkyl (C<5) or benzyl ester of sulphonic or phosphonic acid|H-acceptor-path3-H-acceptor",1]
["3597-91-9","4-biphenylmethanol;4-hydroxymethylbiphenyl;p-phenylbenzyl alcohol;biphenyl-4-ylmethanol","c1(-c2ccc(CO)cc2)ccccc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO",null,"Genetic Toxicology Data Bank (GENE-TOX)","Mutat Res 100:357-359","micronucleus assay",null,"Chromosome aberration","In Vivo",1982,"http://toxnet.nlm.nih.gov/cgi-bin/sis/htmlgen?GENETOX","Mammalia","polychromatic erythrocytes","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0]
["33419-42-0","etoposide (vp16);etopside;etoposide;furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5ah)-one, 9-[[4,6-o-(1r)-ethylidene-?-d-glucopyranosyl]oxy]-5,8,8a,9-tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)-, (5r,5ar,8ar,9s)-;etoposide (etop);(8ar,9r)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl 4,6-o-[(1r)-ethylidene]-beta-d-glucopyranoside;furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5ah)-one, 9-[(4,6-o-ethylidene-.beta.-d-glucopyranosyl)oxy]-5,8,8a,9-tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)-, [5r-[5.alpha.,5a.beta.,8a.alpha.,9.beta.(r*)]]-;furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5ah)-one-, 9-((4,6-o-ethylidene-beta-d-glucopyranosyl)oxy)5,8,8a,9-tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl), (5r-(5alpha,5abeta,8aalpha,9beta(r*)))-;33419-42-0","c1(OC)c(O)c(OC)cc(C2c3c(C(OC4C(O)C(O)C5C(COC(C)O5)O4)C4C2C(=O)OC4)cc2c(c3)OCO2)c1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","N/A","YES","OECD Environment, Health and Safety Publications, Appendix 2: Genotoxicity and Carcinogenicity Data Sorted by Chemical, 2005, 324-487","OECD Environment, Health and Safety Publications, Appendix 2: Genotoxicity and Carcinogenicity Data Sorted by Chemical, 2005, 324-487",null,"micronucleus assay",null,"Chromosome aberration","In Vivo",2005,"http://www.oecd.org/document/12/,3343,en_2649_34377_1898188_1_1_1_1,.html",null,null,"Michael addition|Michael addition >> alpha, beta-unsaturated carabonyl compounds|Michael addition >> alpha, beta-unsaturated carabonyl compounds >> Four- and Five-Membered Lactones|SN2|SN2 >> Ring opening SN2 reaction|SN2 >> Ring opening SN2 reaction >> Four- and Five-Membered Lactones",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones",1,"1,3-Benzodioxoles (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"1,3-dialkoxy-benzene|H-acceptor-path3-H-acceptor|Oxolane",1]
["50-91-9","floxuridine;5-fluorodeoxyuridine;2'-deoxy-5-fluorouridine;uridine, 2'-deoxy-5-fluoro-;50-91-9","C1(=O)C(F)=CN(C2CC(O)C(CO)O2)C(=O)N1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","N/A","YES",null,"Genetic Toxicology Data Bank (GENE-TOX)","Arch Toxicol 42:239-248","micronucleus assay",null,"Chromosome aberration","In Vivo",null,"http://toxnet.nlm.nih.gov/cgi-bin/sis/htmlgen?GENETOX","Mammalia","polychromatic erythrocytes","SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives|SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives",1,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives",1,"alpha,beta-unsaturated carbonyls",1,"alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor|Oxolane",1]
["298-02-2","phorate;thimet;o,o-diethyl s-[(ethylsulfanyl)methyl] phosphorodithioate;phosphorodithioic acid, o,o-diethyl s-[(ethylthio)methyl] ester;o,o-diethyl s-[(ethylthio)methyl])ester, phosphorodithioic acid;phorate/fonofos mixture;phorate/ethoprop mixture;phosphorodithioic acid, o,o-diethyl s-(ethylthio)methyl ester;298-02-2","C(C)OP(=S)(OCC)SCSCC","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO",null,"Genetic Toxicology Data Bank (GENE-TOX)","Mutat Res 155:131-134","micronucleus assay",null,"Chromosome aberration","In Vivo",1985,"http://toxnet.nlm.nih.gov/cgi-bin/sis/htmlgen?GENETOX","Mammalia","polychromatic erythrocytes","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"No alert found",0,"No alert found",0,"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"No alert found",0,"No alert found",0]
["303-33-3","heliotrine","C(=O)(C(O)(C(C)C)C(C)OC)OCC1C2C(O)CCN2CC=1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","Low Quality","NO","K. H. Mavournin, Blakey D.H., Cimino M.C.,Salamonem.F, And Heddle, J. A, The In Vivo Micronucleus Assay In Mammahan Bone Marrow Andperipheralblood","Danish EPA","Mutation Research, 239, 29-80","micronucleus assay","A Report Of The U.S. Environmental Protection Agency Gene-Tox Program","Chromosome aberration","In Vivo",1990,null,"Mouse",null,"No alert found",0,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"Pyrrolizidine alkaloids (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity|Substituted n-alkylcarboxylic acids (Nongenotox)",1,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["545-55-1","tepa;triethylenephosphoramide;tri(aziridin-1-yl)phosphine oxide;1,1',1''-phosphoryltriaziridine;tris(1-aziridinyl)phosphine oxide;aziridine, 1,1',1''-phosphinylidynetris-;545-55-1","C1CN1P(=O)(N1CC1)N1CC1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO","Preston Fu, Adler Id, Leonard A, Lyon Mf","Edward D. Thompson,Comparison of In Vivo and In Vitro Cytogenetic Assay Results,Environmental Mutagenesis 8:753-767,1986","Comparative Chemical Mutagenesis, New York, London: Plenum Press, pp 549-631.","micronucleus assay","Mutagenicity of selected chemicals in in vivocytogenetic assay. In deSerres FJ, Shelby MD ( 4s)","Chromosome aberration","In Vivo",1981,null,"Rat","bone marrow cells","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Aziridines",1,"Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Epoxides and aziridines",1,"Epoxides and aziridines|H-acceptor-path3-H-acceptor",1]
["7203-90-9","1-(4-chlorophenyl)-3,3-dimethyltriazine;1-(4-chlorophenyl)-3,3-dimethyltriazene;1-triazene, 1-(4-chlorophenyl)-3,3-dimethyl- (9ci)","c1(Cl)ccc(N=NN(C)C)cc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","N/A","YES",null,"Genetic Toxicology Data Bank (GENE-TOX)","Mutat Res 123:61-118","micronucleus assay",null,"Chromosome aberration","In Vivo",1983,"http://toxnet.nlm.nih.gov/cgi-bin/sis/htmlgen?GENETOX","Mammalia","polychromatic erythrocytes","SN2|SN2 >> Carbenium Ion Formation|SN2 >> Carbenium Ion Formation >> Acyclic Triazenes",1,"No alert found",0,"Azide and triazene groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Carbenium Ion Formation|SN2 >> Carbenium Ion Formation >> Acyclic Triazenes",1,"Azide and triazene groups",1,"Azide and triazene groups|H-acceptor-path3-H-acceptor",1]
["7239-21-6","1-(4-bromophenyl)-3,3-dimethyltriazine;1-(4-bromophenyl)-3,3-dimethyltriazene; 1-(4-bromophenyl)-3,3-dimethyltriazene;1-triazene, 1-(4-bromophenyl)-3,3-dimethyl- (9ci)","c1(Br)ccc(N=NN(C)C)cc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","N/A","YES",null,"Genetic Toxicology Data Bank (GENE-TOX)","Mutat Res 123:61-118","micronucleus assay",null,"Chromosome aberration","In Vivo",1983,"http://toxnet.nlm.nih.gov/cgi-bin/sis/htmlgen?GENETOX","Mammalia","polychromatic erythrocytes","SN2|SN2 >> Carbenium Ion Formation|SN2 >> Carbenium Ion Formation >> Acyclic Triazenes",1,"No alert found",0,"Azide and triazene groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Carbenium Ion Formation|SN2 >> Carbenium Ion Formation >> Acyclic Triazenes",1,"Azide and triazene groups",1,"Azide and triazene groups|H-acceptor-path3-H-acceptor",1]
["19992-69-9","1-(3-pyridinyl)-3,3-dimethyltriazene;pyridine, 3-(3,3-dimethyl-1-triazenyl)- (9ci);19992-69-9","c1(N=NN(C)C)cccnc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","Low Quality","NO",null,"Genetic Toxicology Data Bank (GENE-TOX)","Mutat Res 123:61-118","micronucleus assay",null,"Chromosome aberration","In Vivo",1983,"http://toxnet.nlm.nih.gov/cgi-bin/sis/htmlgen?GENETOX","Mammalia","polychromatic erythrocytes","SN2|SN2 >> Carbenium Ion Formation|SN2 >> Carbenium Ion Formation >> Acyclic Triazenes",1,"No alert found",0,"Azide and triazene groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Carbenium Ion Formation|SN2 >> Carbenium Ion Formation >> Acyclic Triazenes",1,"Azide and triazene groups",1,"Azide and triazene groups|H-acceptor-path3-H-acceptor",1]
["22089-22-1","trofosfamide;n,n,3-tris(2-chloroethyl)-1,3,2-oxazaphosphinan-2-amine 2-oxide;2h-1,3,2-oxazaphosphorine, 2-(bis(2-chloroethyl)amino)-3-(2-chloroethyl)tetrahydro-, 2-oxide;22089-22-1","C1CCN(CCCl)P(=O)(N(CCCl)CCCl)O1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO",null,"Genetic Toxicology Data Bank (GENE-TOX)","Mutat Res 123:61-118","micronucleus assay",null,"Chromosome aberration","In Vivo",1983,"http://toxnet.nlm.nih.gov/cgi-bin/sis/htmlgen?GENETOX","Mammalia","polychromatic erythrocytes","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Nitrogen Mustards|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> Mustards",1,"S or N mustard (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"S or N mustard",1,"H-acceptor-path3-H-acceptor|S or N mustard",1]
["50355-74-3","3,3-dimethyl-1-(2,4,6-trichlorophenyl)triazene","c1(Cl)c(N=NN(C)C)c(Cl)cc(Cl)c1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","Low Quality","NO",null,"Genetic Toxicology Data Bank (GENE-TOX)","Mutat Res 123:61-118","micronucleus assay",null,"Chromosome aberration","In Vivo",1983,"http://toxnet.nlm.nih.gov/cgi-bin/sis/htmlgen?GENETOX","Mammalia","polychromatic erythrocytes","SN2|SN2 >> Carbenium Ion Formation|SN2 >> Carbenium Ion Formation >> Acyclic Triazenes",1,"No alert found",0,"Azide and triazene groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Carbenium Ion Formation|SN2 >> Carbenium Ion Formation >> Acyclic Triazenes",1,"Azide and triazene groups",1,"Azide and triazene groups|H-acceptor-path3-H-acceptor",1]
["54-62-6","aminopterin;n-[4-[[(2,4-diamino-6-pteridinyl)methyl]amino]benzoyl]-l-glutamic acid;aminofolic acid, 4-;l-glutamic acid, n-[4-[[(2,4-diamino-6-pteridinyl)methyl]amino]benzoyl]-;n-[(4-{[(2,4-diaminopteridin-6-yl)methyl]amino}phenyl)carbonyl]-l-glutamic acid;glutamic acid, n-(p-(((2,4-diamino-6-pteridinyl)methyl)amino)benzoyl)-, l-","C(=O)(c1ccc(NCc2cnc3c(c(N)nc(N)n3)n2)cc1)NC(C(=O)O)CCC(=O)O","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","N/A","YES",null,"Genetic Toxicology Data Bank (GENE-TOX)","Mutat Res 123:61-118","micronucleus assay",null,"Chromosome aberration","In Vivo",1983,"http://toxnet.nlm.nih.gov/cgi-bin/sis/htmlgen?GENETOX","Mammalia","polychromatic erythrocytes","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Secondary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["57-22-7","vincristine;22-oxovincaleukoblastine;22-oxovincaleukoblatine","C(=O)(C1(c2c(OC)cc3c(C45C(C(O)(C(=O)OC)C(OC(C)=O)C6(CC)C=CCN(C46)CC5)N3C=O)c2)C2=C(c3c(cccc3)N2)CCN2CC(O)(CC)CC(C2)C1)OC","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","N/A","YES","Deng,H, Lou,J, Zhang,M, Wu,W, Jin,L, Chen,S, Zheng,W, Wang,B, And He,J","Romualdo Benigni","Mutat. Res. 559:152-159","micronucleus assay","Detecting The Cytogenetic Effects In Workers Occupationally Exposed To Vincristine With Four Genetic Test","Chromosome aberration","In Vivo",2006,"CCRIS","Human","bone marrow cells","Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Specific Acetate Esters|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Specific Acetate Esters|SN2|SN2 >> Acylating agents|SN2 >> Acylating agents >> Specific Acetate Esters|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Specific Acetate Esters",1,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"No alert found",0,"Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Specific Acetate Esters|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Specific Acetate Esters|SN2|SN2 >> Acylating agents|SN2 >> Acylating agents >> Specific Acetate Esters|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Specific Acetate Esters",1,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["64-86-8","colchicine;acetamide, n-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo[a]heptalen-7-yl)-, (s)-;acetamide, n-[(7s)-5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo[a]heptalen-7-yl]-;n-[(7s)-1,2,3,10-tetramethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide;colchicine,itssaltsandderivatives;(s)-n-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo[1]heptalen-7-yl)acetamide;n-[(7s)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5h-benzo[d]heptalen-7-yl]acetamide;acetamide, n-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo(a)heptalen-7-yl)-, (s)-;(-)-form","C12C(c3c(OC)c(OC)c(OC)cc3CCC1NC(C)=O)=CC=C(OC)C(=O)C=2","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","N/A","YES","De Boeck,M, Van Der Leede,Bj, Van Goethem,F, De Smedt,A, Steemans,M, Lampo,A And Vanparys,P","Romualdo Benigni","Environ. Mol.","micronucleus assay","Flow Cytometric Analysis Of Micronucleated Reticulocytes: Time-And Dose-Dependent Response Of Known Mutagens In Mice, Using Multiple Blood Sampling","Chromosome aberration","In Vivo",null,"CCRIS","Mouse","blood erythrocytes","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones",1,"alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"alpha,beta-unsaturated carbonyls",1,"1,3-dialkoxy-benzene|alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor",1]
["69-05-6","quinacrine dihydrochloride;quinacrine 2hcl","c12c(c(NC(C)CCCN(CC)CC)c3c(cc(Cl)cc3)n1)cc(OC)cc2","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","Low Quality, Conflict","NO",null,"Genetic Toxicology Data Bank (GENE-TOX)","J Oral Pathol 15:450-453","micronucleus assay",null,"Chromosome aberration","In Vivo",1986,"http://toxnet.nlm.nih.gov/cgi-bin/sis/htmlgen?GENETOX","Mammalia","polychromatic erythrocytes","SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aminoacridine Derivatives|SN2|SN2 >> Direct acting aziridines|SN2 >> Direct acting aziridines >> Aminoacridine Derivatives",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition|SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"Halogenated benzene (Nongenotox)|Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aminoacridine Derivatives|SN2|SN2 >> Direct acting aziridines|SN2 >> Direct acting aziridines >> Aminoacridine Derivatives",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons",1]
["95-54-5","1,2-phenylenediamine (2-aminoaniline);o-phenylenediamine;benzene-1,2-diamine;1,2-benzenediamine;o-phenylenediamine dihydrochloride;2-amino-aniline;1,2-diaminobenzene;ophenylenediamineanditssalts;1,2-diamino benzene;2-phenylene diamine","c1(N)c(N)cccc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO",null,"Genetic Toxicology Data Bank (GENE-TOX)","Arch Toxicol 43:249-255","micronucleus assay",null,"Chromosome aberration","In Vivo",1980,"http://toxnet.nlm.nih.gov/cgi-bin/sis/htmlgen?GENETOX","Mammalia","polychromatic erythrocytes","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["100-63-0","phenylhydrazine;phenyl-hydrazine;phenyl hydrazine;hydrazine, phenyl-;100-63-0","c1(NN)ccccc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO",null,"Genetic Toxicology Data Bank (GENE-TOX)","Cell Biol Toxicol 1:197-211","micronucleus assay",null,"Chromosome aberration","In Vivo",1985,"http://toxnet.nlm.nih.gov/cgi-bin/sis/htmlgen?GENETOX","Mammalia","polychromatic erythrocytes","Nucleophilic addition|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization >> Hydrazine Derivatives|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Hydrazine Derivatives",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Hydrazine",1,"Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Nucleophilic addition|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization >> Hydrazine Derivatives|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Hydrazine Derivatives",1,"Hydrazine",1,"H-acceptor-path3-H-acceptor|Hydrazine",1]
["125-33-7","primidone;primaclone;hexamidine;primidone (primaclone);4,6(1h,5h)-pyrimidinedione, 5-ethyldihydro-5-phenyl-;5-ethyl-5-phenyldihydropyrimidine-4,6(1h,5h)-dione;5-ethyldihydro-5-phenyl-4,6(1h,5h)-pyrimidinedione;125-33-7","C1(=O)C(c2ccccc2)(CC)C(=O)NCN1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO",null,"Genetic Toxicology Data Bank (GENE-TOX)","Toxicol Lett 34:149-152","micronucleus assay",null,"Chromosome aberration","In Vivo",1986,"http://toxnet.nlm.nih.gov/cgi-bin/sis/htmlgen?GENETOX","Mammalia","polychromatic erythrocytes","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["300-62-9","alpha-methylphenethylamine;amphetamine;benzeneethanamine, ?-methyl-, (±)-;benzeneethanamine, .alpha.-methyl-;1-phenylpropan-2-amine;sympathicomimeticaminesactingonthe centralnervoussystem:anysubstance containedinthefirstlistofmedicaments whicharesubjecttomedical prescriptionandarereferredtoinresolutionap(69)2ofthe councilofeurope;alpha-methylbenzeneethanamine;benzeneethanamine, alpha-methyl-, (+-)-;300-62-9;1-phenyl-2-propylamine;(±)-form","c1(CC(C)N)ccccc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO",null,"Genetic Toxicology Data Bank (GENE-TOX)","Mutat Res 190:153-157","micronucleus assay",null,"Chromosome aberration","In Vivo",1987,"http://toxnet.nlm.nih.gov/cgi-bin/sis/htmlgen?GENETOX","Mammalia","polychromatic erythrocytes","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes",1,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0]
["476-28-8","lycorine;(1s,2s,12bs,12cs)-2,4,5,7,12b,12c-hexahydro-1h-[1,3]dioxolo[4,5-j]pyrrolo[3,2,1-de]phenanthridine-1,2-diol","c12c(C3C4C(=CC(O)C3O)CCN4C1)cc1c(c2)OCO1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO",null,"Genetic Toxicology Data Bank (GENE-TOX)","Ircs Med Sci Libr Compend 11:381","micronucleus assay",null,"Chromosome aberration","In Vivo",1983,"http://toxnet.nlm.nih.gov/cgi-bin/sis/htmlgen?GENETOX","Mammalia","polychromatic erythrocytes","No alert found",0,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"1,3-Benzodioxoles (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["521-35-7","cannabinol","C1(C)(C)c2c(-c3c(O)cc(CCCCC)cc3O1)cc(C)cc2","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","Low Quality","NO",null,"Genetic Toxicology Data Bank (GENE-TOX)","Pharmacology 21:277-287","micronucleus assay",null,"Chromosome aberration","In Vivo",1980,"http://toxnet.nlm.nih.gov/cgi-bin/sis/htmlgen?GENETOX","Mammalia","polychromatic erythrocytes","No alert found",0,"No alert found",0,"o-phenylphenol (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"No alert found",0]
["2832-19-1","chloracetamide-n-metholol;chloracetamide-n-methanol;acetamide, 2-chloro-n-(hydroxymethyl)-;2-chloro-n-(hydroxymethyl)acetamide","C(=O)(CCl)NCO","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO",null,"Genetic Toxicology Data Bank (GENE-TOX)","Mutat Res 156:19-32","micronucleus assay",null,"Chromosome aberration","In Vivo",1985,"http://toxnet.nlm.nih.gov/cgi-bin/sis/htmlgen?GENETOX","Mammalia","polychromatic erythrocytes","No alert found",0,"No alert found",0,"Aliphatic halogens (Genotox)|N-methylol derivatives (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aliphatic halogens|N-methylol derivatives",1,"Aliphatic halogen|H-acceptor-path3-H-acceptor|N-methylol derivatives",1]
["13056-98-9","1-phenyl-3,3-diethyltriazene;1-triazene, 3,3-diethyl-1-phenyl- (9ci);13056-98-9","c1(N=NN(CC)CC)ccccc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","Low Quality","NO",null,"Genetic Toxicology Data Bank (GENE-TOX)","Mutat Res 123:61-118","micronucleus assay",null,"Chromosome aberration","In Vivo",1983,"http://toxnet.nlm.nih.gov/cgi-bin/sis/htmlgen?GENETOX","Mammalia","polychromatic erythrocytes","SN2|SN2 >> Carbenium Ion Formation|SN2 >> Carbenium Ion Formation >> Acyclic Triazenes",1,"No alert found",0,"Azide and triazene groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Carbenium Ion Formation|SN2 >> Carbenium Ion Formation >> Acyclic Triazenes",1,"Azide and triazene groups",1,"Azide and triazene groups|H-acceptor-path3-H-acceptor",1]
["20702-77-6","neohesperidin dihydrochalcone;3,5-dihydroxy-4-[3-(3-hydroxy-4-methoxyphenyl)propanoyl]phenyl 2-o-(6-deoxy-alpha-l-mannopyranosyl)-beta-d-glucopyranoside;1-propanone, 1-(4-((2-o-(6-deoxy-alpha-l-mannopyranosyl)-beta-d-glucopyranosyl)oxy)-2,6-dihydroxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)-","C(=O)(c1c(O)cc(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(O)C(O)C(CO)O2)cc1O)CCc1cc(O)c(OC)cc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality, Conflict","NO",null,"Genetic Toxicology Data Bank (GENE-TOX)","Mutat Res 89:69-74","micronucleus assay",null,"Chromosome aberration","In Vivo",1981,"http://toxnet.nlm.nih.gov/cgi-bin/sis/htmlgen?GENETOX","Mammalia","polychromatic erythrocytes","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["22994-85-0","benznidazole;1h-imidazole-1-acetamide, 2-nitro-n-(phenylmethy;2-nitro-n-(phenylmethyl)-h-imidazole-1-acetamide;1h-imidazole-1-acetamide, 2-nitro-n-(phenylmethyl)- (9ci)","c1(CNC(=O)CN2C(N(=O)=O)=NC=C2)ccccc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","Moderate Quality","NO",null,"Genetic Toxicology Data Bank (GENE-TOX)","Comun Biol 3:25-28","micronucleus assay",null,"Chromosome aberration","In Vivo",null,"http://toxnet.nlm.nih.gov/cgi-bin/sis/htmlgen?GENETOX","Mammalia","polychromatic erythrocytes","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes|SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Unsaturated heterocyclic nitro",1,"Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["23256-30-6","nifurtimox;3-methyl-n-[(5-nitrofuran-2-yl)methylidene]thiomorpholin-4-amine 1,1-dioxide;4-thiomorpholinamine, 3-methyl-n-((5-nitro-2-furanyl)methylene)-, 1,1-dioxide;23256-30-6","C1(C=NN2C(C)CS(=O)(=O)CC2)=CC=C(N(=O)=O)O1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","N/A","YES",null,"Genetic Toxicology Data Bank (GENE-TOX)","Comun Biol 3:25-28","micronucleus assay",null,"Chromosome aberration","In Vivo",1984,"http://toxnet.nlm.nih.gov/cgi-bin/sis/htmlgen?GENETOX","Mammalia","polychromatic erythrocytes","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Unsaturated heterocyclic nitro",1,"Hydrazine (Genotox)|Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Hydrazine|Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Hydrazine|Nitro-aromatic",1]
["24632-47-1","nifurpipone;1-piperazineacetic acid, 4-methyl-, ((5-nitro-2-furanyl)methylene)hydrazide (9ci)","C1(C=NNC(=O)CN2CCN(C)CC2)=CC=C(N(=O)=O)O1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","Low Quality","NO",null,"Genetic Toxicology Data Bank (GENE-TOX)","Mutat Res 123:61-118","micronucleus assay",null,"Chromosome aberration","In Vivo",1983,"http://toxnet.nlm.nih.gov/cgi-bin/sis/htmlgen?GENETOX","Mammalia","polychromatic erythrocytes","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Unsaturated heterocyclic nitro",1,"Hydrazine (Genotox)|Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Hydrazine|Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Hydrazine|Nitro-aromatic",1]
["54827-17-7","3,3',5,5'-tetramethylbenzidine;[1,1’-biphenyl]-4,4’-diamine, 3,3’,5,5’-tetramethyl-;[1,1'-biphenyl]-4,4'-diamine, 3,3',5,5'-tetramethyl-;3,3',5,5'-tetramethylbiphenyl-4,4'-diamine;(1,1'-biphenyl)-4,4'-diamine, 3,3',5,5'-tetramethyl-","c1(-c2cc(C)c(N)c(C)c2)cc(C)c(N)c(C)c1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO",null,"Genetic Toxicology Data Bank (GENE-TOX)","Mutat Res 123:61-118","micronucleus assay",null,"Chromosome aberration","In Vivo",1983,"http://toxnet.nlm.nih.gov/cgi-bin/sis/htmlgen?GENETOX","Mammalia","polychromatic erythrocytes","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"No alert found",0,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"Primary aromatic amine, hydroxyl amine and its derived esters",1]
["69866-21-3","cc-1065;rachelmycin;benzo(1,2-b:4,3-b')dipyrrole-3(2h)-carboxamide, 7-((1,6-dihydro-4-hydroxy-5-methoxy-7-((4,5,8,8a-tetrahydro-7-methyl-4-oxocyclopropa(c)pyrrolo(3,2-e)indol-2(1h)-yl)carbonyl)benzo(1,2-b:4,3-b')dipyrrol-3(2h)-yl)carbonyl)-1,6-dihydro-4-hydroxy-5-methoxy-, (","C1(C)C2C34C(=CC(=O)C=2NC=1)N(C(=O)C1=Cc2c(c(OC)c(O)c5c2CCN5C(=O)C2=Cc5c(c(OC)c(O)c6c5CCN6C(N)=O)N2)N1)CC3C4","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","Moderate Quality","NO",null,"Genetic Toxicology Data Bank (GENE-TOX)","Mutagenesis 1:407-410","micronucleus assay",null,"Chromosome aberration","In Vivo",1986,"http://toxnet.nlm.nih.gov/cgi-bin/sis/htmlgen?GENETOX","Mammalia","polychromatic erythrocytes","SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["71031-15-7","cathinone","c1(C(=O)C(C)N)ccccc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","Low Quality","NO",null,"Genetic Toxicology Data Bank (GENE-TOX)","Mutat Res 190:153-157","micronucleus assay",null,"Chromosome aberration","In Vivo",1987,"http://toxnet.nlm.nih.gov/cgi-bin/sis/htmlgen?GENETOX","Mammalia","polychromatic erythrocytes","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["5160-02-01","benzenesulfonic acid, 5-chloro-2-[2-(2-hydroxy-1-naphthalenyl)diazenyl]-4-methyl-, barium salt (2:1);pigment red-53;d & c red no. 9;d&c red no. 9;d&c red 9;barium bis[2-chloro-5-[(2-hydroxy-1-naphthyl)azo]toluene-4-sulphonate];benzenesulfonic acid, 5-chloro-2-[(2-hydroxy-1-naphthalenyl)azo]-4-methyl-, barium salt (2:1);barium bis{5-chloro-2-[(2-hydroxynaphthalen-1-yl)diazenyl]-4-methylbenzenesulfonate};colouringagentci15585;c.i. pigment red 53:1;5-chloro-2-[(2-hydroxy-1-naphthalenyl)azo]-4-methylbenzene sulfonic acid, barium salt","c1(O)c(N=Nc2c(S(=O)(=O)O{-}.[Ba]{2+}.O{-}S(=O)(=O)c3c(N=Nc4c5c(ccc4O)cccc5)cc(C)c(Cl)c3)cc(Cl)c(C)c2)c2c(cccc2)cc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","N/A","YES","Westmoreland, C. & Gatehouse, D.","Honma Masamitsu","Mutation Res., 281, 163-167","micronucleus assay","D and C Red No. 9: genotoxic or nongenotoxic carcinogen","Chromosome aberration","In Vivo",1992,{"$nulls":3},"No alert found",0,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic azo",1,"Benzenesulfonic ethers, methylation (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["81-88-9","rhodamine b","c12C(c3c(C(=O)O)cccc3)=C3C(=CC(=N{+}(.Cl{-})(CC)CC)C=C3)Oc1cc(N(CC)CC)cc2","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","Moderate Quality, Conflict","NO","Kawachi T, Yahagi T, Kada T, Tazima Y, Ishidate M, Sasaki M, Sugiyama T","Edward D. Thompson,Comparison of In Vivo and In Vitro Cytogenetic Assay Results,Environmental Mutagenesis 8:753-767,1986","Montesano R, Bartsch H, andTomatis L ,Molecular and Cellular Aspects of Carcinogen Screening T( 4s)","micronucleus assay","Cooperativeprogramme on short-term assays for carcinogenicity in Japan","Chromosome aberration","In Vivo",1980,null,"Rat","bone marrow cells","No alert found",0,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine",1,"Aromatic mono-and dialkylamine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aromatic mono-and dialkylamine",1,"Aromatic mono- and dialkylamine|H-acceptor-path3-H-acceptor",1]
["62-55-5","thioacetamide;ethanethioic acid;ethanethioamide;acetamide, thio-;acetimidic acid, thio-;acetamide, thio- (van) (8ci);62-55-5;<i>oh</i>-form, amide","C(C)(N)=S","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO","Mirkova Et","Honma Masamitsu","Mutation Research, 352, 23-30","micronucleus assay","Activities of the rodent carcinogens thioacetamide and acetamide in the mouse bone marrow micronucleus assay","Chromosome aberration","In Vivo",1996,{"$nulls":3},"No alert found",{"$f":"IF(X194=\"No alert found\",0,1)","v":0},"No alert found",{"$f":"IF(Z194=\"No alert found\",0,1)","v":0},"Structural alert for nongenotoxic carcinogenicity|Thiocarbonyl (Nongenotox)",{"$f":"IF(AB194=\"No alert found\",0,1)","v":1},"No alert found",{"$f":"IF(AD194=\"No alert found\",0,1)","v":0},"No alert found",{"$f":"IF(AF194=\"No alert found\",0,1)","v":0},"H-acceptor-path3-H-acceptor",{"$f":"IF(AH194=\"No alert found\",0,1)","v":1}]
["60-13-9","amphetamine sulfate;dl-amphetamine sulfate;1-phenyl-2-propylamine;(±)-form, sulfate (2:1)","c1(CC(C)N)ccccc1_c1(CC(C)N)ccccc1_O=S(=O)(O)O","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","N/A","YES","Tariq, M, Parmar, N S, Qureshi, S, El-Feraly, F S, & Al-Meshal, I A","Honma Masamitsu","Mutation Res.,190 (2), 153-7","micronucleus assay","Clastogenic evaluation of cathinone and amphetamine in somatic cells of mice","Chromosome aberration","In Vivo",1987,{"$nulls":3},"No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes|No alert found",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["51-21-8","5-fluorouracil;5-fluoro-1h-pyrimidine-2,4-dione;fluorouracil;5-fluorouracil (5-fu);2,4(1h,3h)-pyrimidinedione, 5-fluoro-;5-fluoropyrimidine-2,4(1h,3h)-dione;fluorouracil(inn);uracil, 5-fluoro-;5-fluoro-2,4(1h,3h)pyrionidinedione;5-fluoro-2,4-dihydroxypyrimidine","C1(=O)C(F)=CNC(=O)N1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO","Maier, P. & Schmid, W.","Honma Masamitsu","Mutat Res, 40, 325-338","micronucleus assay","Ten model mutagens evaluated by the micronucleus test","Chromosome aberration","In Vivo",1976,{"$nulls":3},"SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives|SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives",1,"No alert found",0,"alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives",1,"alpha,beta-unsaturated carbonyls",1,"alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor",1]
["55-98-1","myleran;mylerlan;busulfan;1,4-butanediol, dimethanesulfonate;butane-1,4-diyl dimethanesulfonate;dimethanesulfonate-1,4-butanediol","C(CCCOS(C)(=O)=O)OS(C)(=O)=O","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO",null,"Genetic Toxicology Data Bank (GENE-TOX)","Mutat Res 90:163-173","micronucleus assay",null,"Chromosome aberration","In Vivo",1981,"http://toxnet.nlm.nih.gov/cgi-bin/sis/htmlgen?GENETOX","Mammalia","polychromatic erythrocytes","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Sulfonates and Sulfates",1,"SN2|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Sulfonates",1,"No alert found",0,"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Sulfonates and Sulfates",1,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["56-72-4","coumaphos;o-(3-chloro-4-methyl-2-oxo-2h-chromen-7-yl) o,o-diethyl phosphorothioate;phosphorothioic acid, o-(3-chloro-4-methyl-2-oxo-2h-1-benzopyran-7-yl) o,o-diethyl ester;phosphorothioic acid o-(3-chloro-4-methyl-2-oxo-2h-1-benzopyran-7-yl) o,o-diethyl ester;o-(3-chloro-4-methyl-2-oxo-2h-chromen-7-yl) o,o-diethyl thiophosphate;56-72-4","C1(C)c2c(cc(OP(=S)(OCC)OCC)cc2)OC(=O)C=1Cl","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO","California Environmental Protection Agency Department of Pesticide Regulation; Summary of Toxicology Data for Coumaphos","Romualdo Benigni",null,"micronucleus assay",null,"Chromosome aberration","In Vivo",1992,"CCRIS","Mouse","polychromatic erythrocytes","Radical|Radical >> Generation of reactive oxygen species|Radical >> Generation of reactive oxygen species >> Coumarins|SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Coumarins|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"No alert found",0,"Coumarins and Furocoumarins (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Epoxidation of Aliphatic Alkenes|SN2 >> Epoxidation of Aliphatic Alkenes >> Polarized Haloalkene Derivatives|SN2 >> P450-mediated epoxidation|SN2 >> P450-mediated epoxidation >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3 and activated sp2 carbon atom|SN2 >> SN2 at sp3 and activated sp2 carbon atom >> Polarized Haloalkene Derivatives|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"Coumarins and Furocoumarins",1,"Coumarins and Furocoumarins|H-acceptor-path3-H-acceptor",1]
["115-02-6","azaserine;o-(diazoacetyl)-l-serine;serine, diazoacetate (ester);l-serine, diazoacetate (ester);115-02-6","C(=O)(O)C(N)COC(=O)C=N{+}=N{-}","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","N/A","YES","Morita, T., Asano, N., Awogi, T., Sasaki, Y. F., Sato, S., Shimada, H., Sutou, S., Suzuki, T., Wakata, A., Sofuni, T., & Hayashi, M.","Honma Masamitsu",null,"micronucleus assay","Evaluation of the rodent micronucleus assay in the screening of IARC carcinogens (Groups 1, 2A and 2B). The summar","Chromosome aberration","In Vivo",1997,{"$nulls":3},"SN2|SN2 >> Carbenium Ion Formation|SN2 >> Carbenium Ion Formation >> Diazoalkanes",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Diazoalkanes",1,"Aliphatic azo and azoxy (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Carbenium Ion Formation|SN2 >> Carbenium Ion Formation >> Diazoalkanes",1,"Aliphatic azo and azoxy",1,"Aliphatic azo and azoxy|H-acceptor-path3-H-acceptor",1]
["118-71-8","3-hydroxy-2-methyl-4-pyrone;4h-pyran-4-one, 3-hydroxy-2-methyl-;maltol;3-hydroxy-2-methyl-4h-pyran-4-one;118-71-8;3-hydroxy-2-methyl-4<i>h</i>-pyran-4-one","C1(=O)C(O)=C(C)OC=C1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO","M.Hayashi,M.Kishi,T.Sofuni And M.Ishidate","M.Hayashi,M.Kishi,T.Sofuni and M.Ishidate,Fd.Chem.Toxic.Vol.26,pp.487-500,1988","Fd.Chem.Toxic.Vol.26,487-500","micronucleus assay",null,"Chromosome aberration","In Vivo",1988,null,"Mouse","bone marrow cells","No alert found",0,"No alert found",0,"alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"alpha,beta-unsaturated carbonyls",1,"alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor",1]
["143-67-9","vinblastine sulfate;vincaleukoblastine sulfate","C(=O)(C1(c2c(OC)cc3c(C45C(C(O)(C(=O)OC)C(OC(C)=O)C6(CC)C=CCN(C46)CC5)N3C)c2)C2=C(c3c(cccc3)N2)CCN2CC(O)(CC)CC(C2)C1)OC_O=S(=O)(O)O","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","N/A","YES","Choudhury, R.C., A.K. Palo And A. Padhy","Romualdo Benigni","CHEMOTHERAP., 50 (4), 171-177","micronucleus assay","CYTOGENETIC CONSEQUENCES OF VINBLASTINE TREATMENT IN MOUSE BONE MARROW","Chromosome aberration","In Vivo",2004,"CCRIS","Mouse","polychromatic erythrocytes","No alert found|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Specific Acetate Esters|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Specific Acetate Esters|SN2|SN2 >> Acylating agents|SN2 >> Acylating agents >> Specific Acetate Esters|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Specific Acetate Esters",1,"No alert found|SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine",1,"No alert found",0,"No alert found|Schiff base fomers|Schiff base fomers >> Direct acting Schiff base formers|Schiff base fomers >> Direct acting Schiff base formers >> Specific Acetate Esters|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Specific Acetate Esters|SN2|SN2 >> Acylating agents|SN2 >> Acylating agents >> Specific Acetate Esters|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Specific Acetate Esters",1,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["315-22-0","monocrotaline;(3r,4r,5r,13ar,13br)-4,5-dihydroxy-3,4,5-trimethyl-4,5,8,10,12,13,13a,13b-octahydro-2h-[1,6]dioxacycloundecino[2,3,4-gh]pyrrolizine-2,6(3h)-dione;20-norcrotalanan-11,15-dione, 14,19-dihydro-12,13-dihydroxy-, (13-alpha,14-alpha)- (9ci)","C1(=O)C(C)(O)C(C)(O)C(C)C(=O)OC2C3C(=CCN3CC2)CO1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","N/A","YES","Morita, T., Asano, N., Awogi, T., Sasaki, Y. F., Sato, S., Shimada, H., Sutou, S., Suzuki, T., Wakata, A., Sofuni, T., & Hayashi, M.","Honma Masamitsu",null,"micronucleus assay","Evaluation of the rodent micronucleus assay in the screening of IARC carcinogens (Groups 1, 2A and 2B). The summar","Chromosome aberration","In Vivo",1997,{"$nulls":3},"No alert found",0,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> Pyrrolizidine alkaloids|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"Pyrrolizidine alkaloids (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["496-72-0","3,4-diaminotoluene;4-methyl-benzene-1,2-diamine;4-methyl-o-phenylenediamine;2-amino-4-methylaniline;1,2-benzenediamine, 4-methyl-;toluene-3,4-diamine;3,4-toluenediamine;4-methylbenzene-1,2-diamine;toluene3,4diamine anditssalts,whenusedasasubstanceinhairdye products","c1(N)c(N)cc(C)cc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO",null,"Genetic Toxicology Data Bank (GENE-TOX)","Arch Toxicol 43:249-255","micronucleus assay",null,"Chromosome aberration","In Vivo",1980,"http://toxnet.nlm.nih.gov/cgi-bin/sis/htmlgen?GENETOX","Mammalia","polychromatic erythrocytes","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["501-30-4","kojic acid;5-hydroxy-2-hydroxymethyl-pyran-4-one;4h-pyran-4-one, 5-hydroxy-2-(hydroxymethyl)-;5-hydroxy-2-hydroxymethyl-4-pyrone;5-hydroxy-2-(hydroxymethyl)-4h-pyran-4-one","C1(O)C(=O)C=C(CO)OC=1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO","Suzuki,H Ikeda,N Kobayashi,K Terashima,Y Shimada,Y Suzuki,T Hagiwara,T Hatakeyama,S Nagaoka,K Yoshida,J Saito,Y Tanaka,J And Hayashi,M","Romualdo Benigni","Mutat. Res. 583:133-","micronucleus assay","Evaluation Of Liver And Peripheral Blood Micronucleus Assays With 9 Chemicals Using Young Rats","Chromosome aberration","In Vivo",null,"CCRIS","Rat","bone marrow cells","No alert found",0,"No alert found",0,"alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"alpha,beta-unsaturated carbonyls",1,"alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor",1]
["1838-94-4","3,4-epoxy-3-methyl-1-butene;1,2-epoxy-2-methyl-3-butene;oxirane, 2-ethenyl-2-methyl-","C1(C)(C=C)CO1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","Moderate Quality","NO","Fred,C, Grawe,J, and Toernqvist,M; Hemoglobin Adducts And Micronuclei In Rodents After Treatment With Isoprene Monoxide Or Butadiene Monoxide; Mutat. Res. 585","Romualdo Benigni","Mutation Res., 585 (1-2), 21-32","micronucleus assay","Hemoglobin Adducts and Micronuclei in Rodents after Treatment with Isoprene Monoxide or Butadiene Monoxide","Chromosome aberration","In Vivo",2005,"CCRIS","Mouse","bone marrow cells","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"SN2|SN2 >> Direct Acting Epoxides and related|SN2 >> Direct Acting Epoxides and related >> Epoxides",1,"Epoxides and aziridines (Genotox)|Structural alert for genotoxic carcinogenicity",1,"SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Epoxides, Aziridines",1,"Epoxides and aziridines",1,"Epoxides and aziridines",1]
["3365-85-3","p,p'-diaminoterphenyl;4,4''-diaminoterphenyl;(1,1':4',1''-terphenyl)-4,4''-diamine","c1(-c2ccc(-c3ccc(N)cc3)cc2)ccc(N)cc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","Moderate Quality","NO",null,"Genetic Toxicology Data Bank (GENE-TOX)","Comp Genet Toxicol 2Nd Ukems Collab Study :475-481","micronucleus assay",null,"Chromosome aberration","In Vivo",1985,"http://toxnet.nlm.nih.gov/cgi-bin/sis/htmlgen?GENETOX","Mammalia","polychromatic erythrocytes","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"Primary aromatic amine, hydroxyl amine and its derived esters",1]
["3778-73-2","isophosphamide;ifosfamide;1,3,2-oxazaphosphorine, 3-(2-chloroethyl)-2-((2-chloroethyl)amino)tetrahydro-, 2;n,3-bis(2-chloroethyl)-1,3,2-oxazaphosphinan-2-amine 2-oxide;2h-1,3,2-oxazaphosphorine, 3-(2-chloroethyl)-2-((2-chloroethyl)amino)tetrahydro-, 2-oxide (8ci)","C1CCN(CCCl)P(=O)(NCCCl)O1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO",null,"Genetic Toxicology Data Bank (GENE-TOX)","Mutat Res 123:61-118","micronucleus assay",null,"Chromosome aberration","In Vivo",1983,"http://toxnet.nlm.nih.gov/cgi-bin/sis/htmlgen?GENETOX","Mammalia","polychromatic erythrocytes","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Nitrogen Mustards|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> Mustards",1,"No alert found",0,"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["4418-26-2","sodium dehydroacetate","C(C)(=O)C{-}1(.[Na]{+})C(=O)C=C(C)OC1=O","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","Moderate Quality, Conflict","NO","Hayashi,M, Kishi,M, Sofuni,T and Ishidate MJR","Romualdo Benigni","Food Chem Toxicol., 26(6), 487-500","micronucleus assay","Micronucleus Tests in Mice on 39 Food Additives and Eight Miscellaneous Chemicals","Chromosome aberration","In Vivo",1988,"CCRIS","Mouse","bone marrow cells","No alert found",0,"No alert found",0,"alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"alpha,beta-unsaturated carbonyls",1,"alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor",1]
["18883-66-4","streptozotocin;streptozocin;glucopyranose, 2-deoxy-2-(3-methyl-3-nitrosoureido)-, d-;d-glucose, 2-deoxy-2-[[(methylnitrosoamino)carbonyl]amino]-;2-deoxy-2-{[methyl(nitroso)carbamoyl]amino}-alpha-d-glucopyranose;2-deoxy-2-[[(methylnitrosoamino)carbonyl]amino]-d-glucose;2-deoxy-2-({[methyl(nitroso)amino]carbonyl}amino)-alpha-d-glucopyranose;d-glucose, 2-deoxy-2-(((methylnitrosoamino)carbonyl)amino)- (9ci)","C(=O)(N(C)N=O)NC1C(O)C(O)C(CO)OC1O","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","N/A","YES","Chinnasamy N, Fairbairn Lj, Laher J, Willington Ma, Rafferty Ja","Honma Masamitsu","Mutat Res. 416, 1-10","micronucleus assay","Modulation of O6-alkylating agent induced clastogenicity by enhanced DNA repair capacity of bone marrow cells","Chromosome aberration","In Vivo",1998,{"$nulls":3},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2",1,"Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"Alkyl and aryl N-nitroso groups",1,"Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor",1]
["19622-55-0","cl 64855;1,3,4-thiadiazol-2-amine, 5-(1-methyl-5-nitro-1h-imidazol-2-yl)- (9ci)","C1(C2N(C)C(N(=O)=O)=CN=2)=NN=C(N)S1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","Moderate Quality","NO","Nesslany, F., S. Brugier, M.A. Mouries, F.L. Curieux, and D. Marzin","Romualdo Benigni","Mutation Res. 560(2), 147-158","micronucleus assay","In Vitro and In Vivo Chromosomal Aberrations Induced by Megazol","Chromosome aberration","In Vivo",2004,"CCRIS","Rat","bone marrow cells","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary (unsaturated) heterocyclic amine|SN1 >> Nitrenium Ion formation >> Unsaturated heterocyclic nitro",1,"Hydrazine (Genotox)|Nitro-aromatic (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Hydrazine|Nitro-aromatic|Primary aromatic amine,hydroxyl amine and its derived esters",1,"H-acceptor-path3-H-acceptor|Hydrazine|Nitro-aromatic|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["71628-96-1","menogaril;menogarol;2,6-epoxy-2h-naphthaceno(1,2-b)oxocin-9,16-dione, 4-(dimethylamino)-3,4,5,6,11,12,13,14-octahydro-3,5,8,10,13-pentahydroxy-11-methoxy-6,13-dimethyl-, (2r-(2alpha,3beta,4alpha,5beta,6alpha,11alpha,13alpha))-","c12C(=O)c3c(C(=O)c1c1c(C4(C)C(O)C(N(C)C)C(O)C(O4)O1)cc2O)cc1c(c3O)C(OC)CC(C)(O)C1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","N/A","YES",null,"Genetic Toxicology Data Bank (GENE-TOX)","Cancer Res 43:5293-5297","micronucleus assay",null,"Chromosome aberration","In Vivo",1983,"http://toxnet.nlm.nih.gov/cgi-bin/sis/htmlgen?GENETOX","Mammalia","polychromatic erythrocytes","Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones",1,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"Quinones (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Michael addition|Michael addition >> Quinone type compounds|Michael addition >> Quinone type compounds >> Quinones|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Quinones",1,"Quinones",1,"H-acceptor-path3-H-acceptor|Quinones",1]
["57-44-3","5,5-diethyl-pyrimidine-2,4,6-trione;barbital;2,4,6(1h,3h,5h)-pyrimidinetrione, 5,5-diethyl-;5,5-diethylpyrimidine-2,4,6(1h,3h,5h)-trione;5,5-diethyl-2,4,6(1h,3h,5h)-pyrimidinetrione","C1(=O)C(CC)(CC)C(=O)NC(=O)N1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO","Preston Fu, Adler Id, Leonard A, Lyon Mf","Edward D. Thompson,Comparison of In Vivo and In Vitro Cytogenetic Assay Results,Environmental Mutagenesis 8:753-767,1986","Comparative Chemical Mutagenesis, New York, London: Plenum Press, pp 549-631.","micronucleus assay","Mutagenicity of selected chemicals in in vivocytogenetic assay. In deSerres FJ, Shelby MD ( 4s)","Chromosome aberration","In Vivo",1981,null,null,"bone marrow cells","SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["69-09-0","chlorpromazine hydrochloride;[3-(2-chloro-phenothiazin-10-yl)-propyl]-dimethyl-amine;hydrochloride;10h-phenothiazine-10-propanamine, 2-chloro-n,n-dimethyl-, monohydrochloride;3-(2-chloro-10h-phenothiazin-10-yl)-n,n-dimethylpropan-1-amine hydrochloride;2-chloro-n,n-dimethyl-10h-phenothiazine-10-propanamine monohydrochloride","c12c(cc(Cl)cc1)N(CCCN(C)C)c1c(cccc1)S2_Cl","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO","Asanami S, Shimono K, Kaneda S.","Honma Masamitsu","Mutat Res. 413-1:7-14;","micronucleus assay","Transient hypothermia induces micronuclei in mice","Chromosome aberration","In Vivo",1998,{"$nulls":3},"No alert found",0,"No alert found|SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"No alert found",0]
["20199-04-6","thiobenzamide s-oxide","C(N)(c1ccccc1)=S=O","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","Low Quality","NO",null,"Genetic Toxicology Data Bank (GENE-TOX)","Mutat Res 192:141-143","micronucleus assay",null,"Chromosome aberration","In Vivo",1987,"http://toxnet.nlm.nih.gov/cgi-bin/sis/htmlgen?GENETOX","Mammalia","polychromatic erythrocytes","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["39148-24-8","fosetyl-aluminium;fosetyl al;fosethyl-al;fosetyl-al;aluminium triethyl triphosphonate;aluminum tris(ethyl phosphonate);phosphonic acid, monoethyl ester, aluminium salt;monoethyl ester phosphonic acid aluminum salt;fosetyl-al  (aluminum tris o-ethylphophonate)","C(C)OP(=O)O{-}.[Al]{3+}(.O{-}P(=O)OCC).O{-}P(=O)OCC","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO","Grisolia,CK","Romualdo Benigni","Mutation Res., 518 (2), 145-150","micronucleus assay","A Comparison Between Mouse and Fish Micronucleus Test Using Cyclophosphamide, Mitomycin C and Various Pesticides","Chromosome aberration","In Vivo",2002,"CCRIS","Mouse","bone marrow cells","SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"No alert found",0,"No alert found",0,"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["142-04-1","aniline hydrochloride;aniline.hcl;aniline hcl;aniline hcl [benzenamine hcl];anilinium chloride;benzenamine, hydrochloride","c1(N)ccccc1_Cl","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO","Westmoreland, C., & Gatehouse, D.G.","Honma Masamitsu","Carcinogenesis, 12, 1057-1059","micronucleus assay","Effects of aniline hydrochloride in the mouse bone marrow micronucleus test after oral administration","Chromosome aberration","In Vivo",1991,{"$nulls":3},"No alert found|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"No alert found|SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"Primary aromatic amine, hydroxyl amine and its derived esters",1]
["636-23-7","2,4-diaminotoluene.2hcl;2,4-diaminotoluene 2hcl;1,3-benzenediamine, 4-methyl-, hydrochloride (1:2);1,3-benzenediamine, 4-methyl-, dihydrochloride","c1(C)c(N)cc(N)cc1_Cl_Cl","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO","Morita, T., Asano, N., Awogi, T., Sasaki, Yf., Sato, S., Shimada, H., Sutou, S., Suzuki, T., Wakata, A., Sohuni, T. & Hayashi, M.","Honma Masamitsu",null,"micronucleus assay","Evaluation of the in vivo genotoxicity of the structural analogues 2,6-diamino","Chromosome aberration","In Vivo",1997,{"$nulls":3},"No alert found|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"No alert found|SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"Primary aromatic amine, hydroxyl amine and its derived esters",1]
["73590-58-6","omeprazole;1h-benzimidazole,;omeprazole\"\"\";1h-benzimidazole, 6-methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl]-;2-({[3,5-dimethyl-4-(methyloxy)pyridin-2-yl]methyl}sulfinyl)-5-(methyloxy)-1h-benzimidazole","c1(CS(=O)C2=Nc3c(ccc(OC)c3)N2)c(C)c(OC)c(C)cn1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO","Brambilla Campart, Daniela Sini, Giovanna Bergamaschi, Giovanni Brambilla","Honma Masamitsu","Toxicology, 130, 29-41.","micronucleus assay","Evaluation Antonietta Martelli, Francesca Mattioli, Eugenio Mereto, Giulia of omeprazole genotoxicity in a battery of in vitro and in vivo assays","Chromosome aberration","In Vivo",1998,{"$nulls":3},"No alert found",0,"No alert found",0,"Imidazole, benzimidazole (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["366-70-1","procarbazine hydrochloride;procarbazine.hcl;procarbazine hcl [natulan];4-[(2-methylhydrazinyl)methyl]-n-(propan-2-yl)benzamide hydrochloride","C(=O)(c1ccc(CNNC)cc1)NC(C)C_Cl","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO","Bruce, W. R. & Heddle, J. A.","Honma Masamitsu","Can. J. Genet. Cytol., 21, 319-334","micronucleus assay","The mutagenic activity of 61 agents as determined by the micronucleus, Salmonella, and sperm abnormality assays","Chromosome aberration","In Vivo",1979,{"$nulls":3},"No alert found",0,"No alert found",0,"Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Hydrazine",1,"H-acceptor-path3-H-acceptor|Hydrazine",1]
["446-86-6","azathioprine;1h-purine, 6-[(1-methyl-4-nitro-1h-imidazol-5-yl)thio]-;6-[(1-methyl-4-nitro-1h-imidazol-5-yl)sulfanyl]-1h-purine","c1(SC2=C(N(=O)=O)N=CN2C)c2c(ncn1)NC=N2","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO","Bruce, W. R. & Heddle, J. A.","Honma Masamitsu","Can. J. Genet. Cytol., 21, 319-334","micronucleus assay","The mutagenic activity of 61 agents as determined by the micronucleus, Salmonella, and sperm abnormality assays","Chromosome aberration","In Vivo",1979,{"$nulls":3},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Unsaturated heterocyclic nitro",1,"Imidazole, benzimidazole (Nongenotox)|Nitro-aromatic (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"Nitro-aromatic",1,"H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["13956-29-1","cannabidiol;(-)-trans-cannabidiol","c1(O)c(C2C(C(=C)C)CCC(C)=C2)c(O)cc(CCCCC)c1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","Low Quality","NO",null,"Genetic Toxicology Data Bank (GENE-TOX)","Pharmacology 21:277-287","micronucleus assay",null,"Chromosome aberration","In Vivo",1980,"http://toxnet.nlm.nih.gov/cgi-bin/sis/htmlgen?GENETOX","Mammalia","polychromatic erythrocytes","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0]
["2227-79-4","thiobenzamide;benzenecarbothioamide","C(N)(=S)c1ccccc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO",null,"Genetic Toxicology Data Bank (GENE-TOX)","Mutat Res 192:141-143","micronucleus assay",null,"Chromosome aberration","In Vivo",1987,"http://toxnet.nlm.nih.gov/cgi-bin/sis/htmlgen?GENETOX","Mammalia","polychromatic erythrocytes","No alert found",0,"No alert found",0,"Structural alert for nongenotoxic carcinogenicity|Thiocarbonyl (Nongenotox)",1,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["14073-00-8","3-methyl-4-nitroquinoline-1-oxide;3-methyl-4-nitroquinoline 1-oxide","c1(C)c(N(=O)=O)c2c(cccc2)n(=O)c1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","Low Quality","NO",null,"Genetic Toxicology Data Bank (GENE-TOX)","Mutat Res 123:61-118","micronucleus assay",null,"Chromosome aberration","In Vivo",1983,"http://toxnet.nlm.nih.gov/cgi-bin/sis/htmlgen?GENETOX","Mammalia","polychromatic erythrocytes","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Aromatic ring N-oxide (Genotox)|Nitro-aromatic (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aromatic ring N-oxide|Nitro-aromatic",1,"Aromatic ring N-oxide|Nitro-aromatic",1]
["31431-39-7","mebendazole;carbamic acid, (5-benzoyl-1h-benzimidazol-2-yl)-, methyl ester;(5-benzoyl-1h-benzimidazol-2-yl)carbamic acid methyl ester;31431-39-7","c1(C(=O)c2cc3c(cc2)NC(NC(=O)OC)=N3)ccccc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO","Committee on Mutagenicity of Chemicals in Food,Consumer Products and The Environment","Committee on mutagenicity of chemicals in food,consumer products and the environment,Benzimidazoles:an approach to defining a common aneugenic Grouping,COM/07/S3-April 2007",null,"micronucleus assay","Benzimidazoles:An Approach to Defining a Common Aneugenic Grouping, COM/07/S3","Chromosome aberration","In Vivo",2007,null,null,"bone marrow cells","No alert found",0,"No alert found",0,"Alkyl carbamate and thiocarbamate (Genotox)|Imidazole, benzimidazole (Nongenotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"No alert found",0,"Alkyl carbamate and thiocarbamate",1,"Alkyl carbamate and thiocarbamate|H-acceptor-path3-H-acceptor",1]
["57808-66-9","domperidone;2h-benzimidazol-2-one, 5-chloro-1-[1-[3-(2,3-dihydro-2-oxo-1h-benzimidazol-1-yl)propyl]-4-piperidinyl]-1,3-dihydro-;5-chloro-1-[1-[3-(2,3-dihydro-2-oxo-1h-benzimidazol-1-yl)propyl]-4-piperidinyl]-1,3-dihydro-2h-benzimidazol-2-one;2h-benzimidazol-2-one, 1,3-dihydro-5-chloro-1-(1-(3-(2,3-dihydro-2-oxo-1h-benzimidazol-1-yl)propyl)-4-piperidinyl)-","c12c(cc(Cl)cc1)NC(=O)N2C1CCN(CCCN2c3c(cccc3)NC2=O)CC1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO",null,"Genetic Toxicology Data Bank (GENE-TOX)","Toxicol Lett 12:215-222","micronucleus assay",null,"Chromosome aberration","In Vivo",1982,"http://toxnet.nlm.nih.gov/cgi-bin/sis/htmlgen?GENETOX","Mammalia","polychromatic erythrocytes","SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["440-17-5","trifluoperazine hydrochloride [jan];trifluoperazine hydrochloride","C(F)(F)(F)c1cc2c(cc1)Sc1c(cccc1)N2CCCN{+}1(.Cl{-})CCN{+}(C)(.Cl{-})CC1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","Low Quality, Conflict","NO",null,"Genetic Toxicology Data Bank (GENE-TOX)","Food Chem Toxicol 25:615-617","micronucleus assay",null,"Chromosome aberration","In Vivo",1987,"http://toxnet.nlm.nih.gov/cgi-bin/sis/htmlgen?GENETOX","Mammalia","polychromatic erythrocytes","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["21416-87-5","icrf 159;razoxane","C1(=O)CN(C(C)CN2CC(=O)NC(=O)C2)CC(=O)N1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","Low Quality, Conflict","NO","Albanese R, Watkins Pa","Honma Masamitsu","Br J Cancer, 52 (5), 725-731","micronucleus assay","The mutagenic activity of razoxane (ICRF159): an anticancer agent","Chromosome aberration","In Vivo",1985,{"$nulls":3},"No alert found",0,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["557-34-6","zinc acetate;acetic acid, zinc salt;zinc di(acetate);zinc acetate (znoac2);zinc acetate anhydrous;zinc diacetate;acetic acid, zinc(2+) salt","C(C)(=O)O{-}.[Zn]{2+}.O{-}C(C)=O","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO","Piao, F., K. Yokoyama, N. Ma, and T. Yamauchi","Romualdo Benigni","Toxiol. Lett. 145(1), 28-35","micronucleus assay","SUBACUTE TOXIC EFFECTS OF ZINC ON VARIOUS TISSUES AND ORGANS OF RATS","Chromosome aberration","In Vivo",2003,"CCRIS","Rat","bone marrow cells","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["50-44-2","6-mercaptopurine;purine-6-thiol;mercaptopurine;1,7-dihydro-6h-purine-6-thione;6h-purine-6-thione, 1,7-dihydro- (9ci);50-44-2","C1(=S)C2=C(N=CN2)N=CN1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO",null,"Genetic Toxicology Data Bank (GENE-TOX)","Mutat Res 123:61-118","micronucleus assay",null,"Chromosome aberration","In Vivo",1983,"http://toxnet.nlm.nih.gov/cgi-bin/sis/htmlgen?GENETOX","Mammalia","polychromatic erythrocytes","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Specific Imine and Thione Derivatives|SN2|SN2 >> Diazonium ion formation|SN2 >> Diazonium ion formation >> Specific Imine and Thione Derivatives",1,"No alert found",0,"Imidazole, benzimidazole (Nongenotox)|Structural alert for nongenotoxic carcinogenicity|Thiocarbonyl (Nongenotox)",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Specific Imine and Thione Derivatives|SN2|SN2 >> Diazonium ion formation|SN2 >> Diazonium ion formation >> Specific Imine and Thione Derivatives",1,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["56-57-5","4-nitroquinoline 1-oxide;4-nitroquinoline-1-oxide","C12C(=C(N(=O)=O)C=CN1=O)C=CCC=2","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","Low Quality, Conflict","NO","Nakajima M, Kikuchi M, Saeki K, Miyata Y, Terada M, Kishida F, Yamamoto R, Furihata C, Dean Sw.","Honma Masamitsu","Mutat Res, 444, 321-336","micronucleus assay","Mutagenicity of 4-nitroquinoline 1-oxide in the MutaMouse","Chromosome aberration","In Vivo",1999,{"$nulls":3},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"No alert found",0,"No alert found",0,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"No alert found",0,"No alert found",0]
["65-61-2","acridine orange","c12c(cc3c(cc(N(C)C)cc3)n1)ccc(N{+}(C)(C).Cl{-})c2","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO",null,"Genetic Toxicology Data Bank (GENE-TOX)","Mutat Res 170:75-78","micronucleus assay",null,"Chromosome aberration","In Vivo",1986,"http://toxnet.nlm.nih.gov/cgi-bin/sis/htmlgen?GENETOX","Mammalia","polychromatic erythrocytes","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition|SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine",1,"Aromatic mono-and dialkylamine (Genotox)|Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aromatic mono-and dialkylamine|Heterocyclic Polycyclic Aromatic Hydrocarbons",1,"Aromatic mono- and dialkylamine|Heterocyclic Polycyclic Aromatic Hydrocarbons",1]
["70-25-7","n-methyl-n'-nitro-n-nitrosoguanidine","C(=N)(N(C)N=O)NN(O)O","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","Low Quality, Conflict","NO","Bruce, W. R. & Heddle, J. A.","Honma Masamitsu","Can. J. Genet. Cytol., 21, 319-334","micronucleus assay","The mutagenic activity of 61 agents as determined by the micronucleus, Salmonella, and sperm abnormality assays","Chromosome aberration","In Vivo",1979,{"$nulls":3},"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> N-hydroxylamines|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2",1,"Alkyl and aryl N-nitroso groups (Genotox)|Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> N-hydroxylamines|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"Alkyl and aryl N-nitroso groups|Hydrazine",1,"Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor|Hydrazine",1]
["86-54-4","hydralazine","C1(=NN)c2c(C=NN1)cccc2","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","N/A","YES","Kawachi T, Yahagi T, Kada T, Tazima Y, Ishidate M, Sasaki M, Sugiyama T","Edward D. Thompson,Comparison of In Vivo and In Vitro Cytogenetic Assay Results,Environmental Mutagenesis 8:753-767,1986","Montesano R, Bartsch H, andTomatis L ,Molecular and Cellular Aspects of Carcinogen Screening T( 4s)","micronucleus assay","Cooperativeprogramme on short-term assays for carcinogenicity in Japan","Chromosome aberration","In Vivo",1980,null,"Rat","bone marrow cells","Nucleophilic addition|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization|Nucleophilic addition >> Nucleophilic addition reaction with cycloisomerization >> Hydrazine Derivatives|Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Hydrazine Derivatives",1,"No alert found",0,"Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Hydrazine",1,"H-acceptor-path3-H-acceptor|Hydrazine",1]
["129-17-9","sulfan blue","c1(C2c3c(cc(S(=O)(=O)O{-}.[Na]{+})cc3)S(=O)(=O)O{-}.N{+}(CC)(CC)=C3C=CC=2C=C3)ccc(N(CC)CC)cc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","Low Quality, Conflict","NO",null,"Genetic Toxicology Data Bank (GENE-TOX)","Mutat Res 170:75-78","micronucleus assay",null,"Chromosome aberration","In Vivo",1986,"http://toxnet.nlm.nih.gov/cgi-bin/sis/htmlgen?GENETOX","Mammalia","polychromatic erythrocytes","No alert found",0,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["130-89-2","quinine hydrochloride;(8alpha,9r)-6'-methoxycinchonan-9-ol hydrochloride","c12c(c(C(O)C3CC4C(C=C)CN3CC4)ccn1)cc(OC)cc2_Cl","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","N/A","YES",null,"Genetic Toxicology Data Bank (GENE-TOX)","Toxicology 26:173-178","micronucleus assay",null,"Chromosome aberration","In Vivo",1983,"http://toxnet.nlm.nih.gov/cgi-bin/sis/htmlgen?GENETOX","Mammalia","polychromatic erythrocytes","No alert found",0,"No alert found|SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["438-41-5","chlordiazepoxide hydrochloride;3h-1,4-benzodiazepine, 7-chloro-2-methylamino-5-phenyl-, 4-oxide, monohydrochlor","c1(C2c3c(ccc(Cl)c3)N=C(N{+}(C).Cl{-})CN=2=O)ccccc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","Low Quality, Conflict","NO",null,"Genetic Toxicology Data Bank (GENE-TOX)","Toxicol Lett 18:45-48","micronucleus assay",null,"Chromosome aberration","In Vivo",1983,"http://toxnet.nlm.nih.gov/cgi-bin/sis/htmlgen?GENETOX","Mammalia","polychromatic erythrocytes","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"No alert found",0,"Halogenated benzene (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["630-93-3","dilantin","C1(=O)C(c2ccccc2)(c2ccccc2)NC(=O)N{-}1.[Na]{+}","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","Low Quality, Conflict","NO",null,"Genetic Toxicology Data Bank (GENE-TOX)","Mutat Res 141:183-187","micronucleus assay",null,"Chromosome aberration","In Vivo",1984,"http://toxnet.nlm.nih.gov/cgi-bin/sis/htmlgen?GENETOX","Mammalia","polychromatic erythrocytes","SN1|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["919-16-4","trilithium citrate;1,2,3-propanetricarboxylic acid, 2-hydroxy-, trilithium salt;lithium citrate anhydrous;trilithium 2-hydroxypropane-1,2,3-tricarboxylate","[Li]{+}.O{-}C(=O)C(O)(CC(=O)O{-}.[Li]{+})CC(=O)O{-}.[Li]{+}","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO",null,"Genetic Toxicology Data Bank (GENE-TOX)","Mutat Res 66:33-43","micronucleus assay",null,"Chromosome aberration","In Vivo",1979,"http://toxnet.nlm.nih.gov/cgi-bin/sis/htmlgen?GENETOX","Mammalia","polychromatic erythrocytes","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["1070-11-7","ethambutol hydrochloride","C(CC)(CC)(CO)NCCNC(CC)CO_Cl_Cl","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","N/A","YES",null,"Genetic Toxicology Data Bank (GENE-TOX)","Ircs Med Sci Libr Compend 10:135-136","micronucleus assay",null,"Chromosome aberration","In Vivo",1982,"http://toxnet.nlm.nih.gov/cgi-bin/sis/htmlgen?GENETOX","Mammalia","polychromatic erythrocytes","No alert found",0,"No alert found",0,"No alert found|Structural alert for nongenotoxic carcinogenicity|Substituted n-alkylcarboxylic acids (Nongenotox)",1,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor|No alert found",1]
["1684-42-0","acranil dihydrochloride","c12c(c(NCC(O)CN{+}(.Cl{-})(CC)CC)c3c(cc(Cl)cc3)n{+}1.Cl{-})cc(OC)cc2","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO",null,"Genetic Toxicology Data Bank (GENE-TOX)","Mutat Res 123:61-118","micronucleus assay",null,"Chromosome aberration","In Vivo",1983,"http://toxnet.nlm.nih.gov/cgi-bin/sis/htmlgen?GENETOX","Mammalia","polychromatic erythrocytes","SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aminoacridine Derivatives|SN2|SN2 >> Direct acting aziridines|SN2 >> Direct acting aziridines >> Aminoacridine Derivatives",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition",1,"Halogenated benzene (Nongenotox)|Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aminoacridine Derivatives|SN2|SN2 >> Direct acting aziridines|SN2 >> Direct acting aziridines >> Aminoacridine Derivatives",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons",1,"H-acceptor-path3-H-acceptor|Heterocyclic Polycyclic Aromatic Hydrocarbons",1]
["1937-37-7","c.i. direct black 38","[Na]{+}_c1(-c2ccc(N=Nc3c(N)c4c(O)c(N=Nc5ccccc5)c(S(=O)(=O)O)cc4cc3S(=O)(=O)O{-}.[Na]{+})cc2)ccc(N=Nc2c(N)cc(N)cc2)cc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","N/A","YES","Beije, B","Honma Masamitsu","Mutat Res, 187, 227-234.","micronucleus assay","Induction of unscheduled DNA synthesis in liver and micronucleus in bone marrow of rats exposed in vivo to the benzidine-derived azo dye, Direct Black 38","Chromosome aberration","In Vivo",1987,{"$nulls":3},"No alert found|Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"No alert found|SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic azo|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Aromatic diazo (Genotox)|No alert found|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aromatic diazo|No alert found",1,"Aromatic diazo|H-acceptor-path3-H-acceptor|No alert found",1]
["2058-46-0","oxytetracycline.hcl","C(N)(=O)C1C(=O)C2(O)C(O)=C3C(=O)c4c(C(C)(O)C3C(O)C2C(N{+}(C)(C).Cl{-})C=1O)cccc4O","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","N/A","YES","Blitek, D., Pienkowska, K., Gajcy, H. & Koziorowska, J.","Honma Masamitsu","Mutation Res., 117, 193-199","micronucleus assay","Mutagenicity of oxytetracycline","Chromosome aberration","In Vivo",1983,{"$nulls":3},"No alert found",0,"No alert found",0,"alpha,beta-unsaturated carbonyls (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"alpha,beta-unsaturated carbonyls",1,"alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor",1]
["2113-61-3","4-aminobiphenyl hcl","c1(-c2ccc(N{+}.Cl{-})cc2)ccccc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO","Shelby, Md., Gulati, Dk., Tuce, Rr., And Wojciechowski, Jp.","Honma Masamitsu","Environ.Mol. Mutage., 13, 33","micronucleus assay","Results of tests for micronulei and chromosomal aberrations in mouse bone marrow cells with the human carcinogens 4-Aminobiphenyl, Treosulphan, and Melphalan","Chromosome aberration","In Vivo",1989,{"$nulls":3},"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0]
["3930-19-6","streptonigrin;rufocromomycin;5-amino-6-(7-amino-6-methoxy-5,8-dioxo-5,8-dihydroquinolin-2-yl)-4-(2-hydroxy-3,4-dimethoxyphenyl)-3-methylpyridine-2-carboxylic acid;2-pyridinecarboxylic acid, 5-amino-6-(7-amino-5,8-dihydro-6-methoxy-5,8-dioxo-2-quinolinyl)-4-(2-hydroxy-3,4-dimethoxyphenyl)-3-methyl-","C1(OC)C(=O)c2c(C(=O)C=1N)nc(-c1c(N)c(-c3c(O)c(OC)c(OC)cc3)c(C)c(C(=O)O)n1)cc2","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO","Huff V, Littlefield Lg, Dufrain Rj, Wilmer Jl","Edward D. Thompson,Comparison of In Vivo and In Vitro Cytogenetic Assay Results,Environmental Mutagenesis 8:753-767,1986","Cytogenet Cell Genet 30: 15-24.","micronucleus assay","Factors affecting the sensitivity of rabbit lymphoid and bone marrow cells to streptonigrin-induced chromosome aberrations.","Chromosome aberration","In Vivo",1981,null,"Rabbit","bone marrow cells","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones|Michael addition >> Quinones and Quinone-type Chemicals|Michael addition >> Quinones and Quinone-type Chemicals >> Quinones",1,"alpha,beta-unsaturated carbonyls (Genotox)|Quinones (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"alpha,beta-unsaturated carbonyls|Quinones",1,"alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor|Quinones",1]
["6055-19-2","cyclophosphamide;cyclophosphamide hydrate;cyclophosphamide monohydrate;2h-1,3,2-oxazaphosphorin-2-amine, n,n-bis(2-chloroethyl)tetrahydro-, 2-oxide, monohydrate;n,n-bis(2-chloroethyl)tetrahydro-2h-1,3,2-oxazaphosphorin-2-amine, 2-oxide, monohydrate","C1CCNP(=O)(N(CCCl)CCCl)O1_O","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO","Ejchart A, Koziorowska J.","Honma Masamitsu","Acta Biochimica Polonica 40 (1) 54-56","micronucleus assay","Strain-dependent differences in mutagenicity and genotoxicity of cycliphosphamide in mice","Chromosome aberration","In Vivo",1993,{"$nulls":3},"No alert found|SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Nitrogen Mustards|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"No alert found|SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> Mustards",1,"S or N mustard (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found|SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"S or N mustard",1,"H-acceptor-path3-H-acceptor|S or N mustard",1]
["8048-52-0","acriflavine;xanthacridinum","c12c(cc3c(cc(N)cc3)n{+}1.Cl{-})ccc(N)c2_c12c(cc3c(cc(N)cc3)n1)ccc(N)c2","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","Low Quality, Conflict","NO",null,"Genetic Toxicology Data Bank (GENE-TOX)","Mutat Res 123:61-118","micronucleus assay",null,"Chromosome aberration","In Vivo",1983,"http://toxnet.nlm.nih.gov/cgi-bin/sis/htmlgen?GENETOX","Mammalia","polychromatic erythrocytes","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic hydrocarbons-Michael addition|SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Primary aromatic amine",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons (Genotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons|Primary aromatic amine,hydroxyl amine and its derived esters",1,"Heterocyclic Polycyclic Aromatic Hydrocarbons|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["11056-06-7","bleomycin","C(=O)(c1c(C)c(N)nc(C(CC(N)=O)NCC(N)C(N)=O)n1)NC(C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCC1=NC(C2=NC(C(=O)NCCCS{+}(C)C)=CS2)=CS1)C(C)O)C(C1=CNC=N1)OC1C(OC2C(O)C(OC(N)=O)C(O)C(CO)O2)C(O)C(O)C(CO)O1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","N/A","YES",null,"Genetic Toxicology Data Bank (GENE-TOX)","Mutat Res 69:319-324","micronucleus assay",null,"Chromosome aberration","In Vivo",1980,"http://toxnet.nlm.nih.gov/cgi-bin/sis/htmlgen?GENETOX","Mammalia","polychromatic erythrocytes","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines",1,"No alert found",0,"Alkyl carbamate and thiocarbamate (Genotox)|alpha,beta-unsaturated carbonyls (Genotox)|Imidazole, benzimidazole (Nongenotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"No alert found",0,"Alkyl carbamate and thiocarbamate|alpha,beta-unsaturated carbonyls|Primary aromatic amine,hydroxyl amine and its derived esters",1,"Alkyl carbamate and thiocarbamate|alpha,beta-unsaturated carbonyls|H-acceptor-path3-H-acceptor|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["12684-33-2","sibiromycin","C1(=O)c2c(c(O)c(C)c(OC3C(O)C(C)(O)C(NC)C(C)O3)c2)NC(O)C2=CC(C=CC)=CN12","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","Low Quality","NO",null,"Genetic Toxicology Data Bank (GENE-TOX)","Jat J Appl Toxicol 3:317-320","micronucleus assay",null,"Chromosome aberration","In Vivo",1983,"http://toxnet.nlm.nih.gov/cgi-bin/sis/htmlgen?GENETOX","Mammalia","polychromatic erythrocytes","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Alkyl phenols|SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["13010-20-3","urea, nitroso-","C(N)(=O)NN=O","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","Low Quality","NO","Matter Be, Wild D","Edward D. Thompson,Comparison of In Vivo and In Vitro Cytogenetic Assay Results,Environmental Mutagenesis 8:753-767,1986","Comparative Chemical Mutagenesis.” New York, London:Plenum Press, pp 657-680.","micronucleus assay","Mutagenicity of selected chemicals in the mammalian micronucleus test. IndeSerres FJ, Shelby MD ( 4s)","Chromosome aberration","In Vivo",1981,null,"Mouse","bone marrow cells","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"No alert found",0,"Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Nitrenium and/or Carbenium ion formation|SN1 >> Nitrenium and/or Carbenium ion formation >> Urea Derivatives|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Urea Derivatives",1,"Alkyl and aryl N-nitroso groups",1,"Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor",1]
["23696-28-8","olaquindox","C(=O)(C1C(C)=N(=O)c2c(cccc2)N=1=O)NCCO","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","Low Quality, Conflict","NO",null,"Genetic Toxicology Data Bank (GENE-TOX)","Mutat Res 116:129-135","micronucleus assay",null,"Chromosome aberration","In Vivo",1983,"http://toxnet.nlm.nih.gov/cgi-bin/sis/htmlgen?GENETOX","Mammalia","polychromatic erythrocytes","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["26907-37-9","n,n-methylenebis(1,3,4-thiadiazol-2-amine);methanediamine, n,n'-bis(1,3,4-thiadiazol-2-yl)- (9ci);26907-37-9","C1(NCNC2=NN=CS2)=NN=CS1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","Low Quality","NO",null,"Genetic Toxicology Data Bank (GENE-TOX)","Environ Res 43:359-363","micronucleus assay",null,"Chromosome aberration","In Vivo",1987,"http://toxnet.nlm.nih.gov/cgi-bin/sis/htmlgen?GENETOX","Mammalia","polychromatic erythrocytes","No alert found",0,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Secondary (unsaturated) heterocyclic amine",1,"Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Hydrazine",1,"H-acceptor-path3-H-acceptor|Hydrazine",1]
["34381-68-5","acebutolol hydrochloride;acebutolol;(±)-n-[3-acetyl-4-[2-hydroxy-3-[(isopropyl)amino]propoxy]phenyl]butyramide monohydrochloride;n-{3-acetyl-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl}butanamide hydrochloride;butanamide, n-[3-acetyl-4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]phenyl]-, monohydrochloride, (.+-.)-","C(C)(=O)c1c(OCC(O)CNC(C)C)ccc(NC(=O)CCC)c1_Cl","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO",null,"Genetic Toxicology Data Bank (GENE-TOX)","Toxicol Lett 16:167-174","micronucleus assay",null,"Chromosome aberration","In Vivo",1983,"http://toxnet.nlm.nih.gov/cgi-bin/sis/htmlgen?GENETOX","Mammalia","polychromatic erythrocytes","No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["37753-10-9","sufosfamide","C1CCN(CCCl)P(=O)(NCCOS(C)(=O)=O)O1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","Low Quality","NO",null,"Genetic Toxicology Data Bank (GENE-TOX)","Mutat Res 123:61-118","micronucleus assay",null,"Chromosome aberration","In Vivo",1983,"http://toxnet.nlm.nih.gov/cgi-bin/sis/htmlgen?GENETOX","Mammalia","polychromatic erythrocytes","SN2|SN2 >> Direct Acting Epoxides and Related|SN2 >> Direct Acting Epoxides and Related >> Nitrogen Mustards|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates|SN2 >> SN2 at sp3-carbon atom >> Sulfonates and Sulfates",1,"SN2|SN2 >> Episulfonium Ion Formation|SN2 >> Episulfonium Ion Formation >> Mustards|SN2 >> SN2 at an sp3 Carbon atom|SN2 >> SN2 at an sp3 Carbon atom >> Sulfonates",1,"No alert found",0,"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates|SN2 >> SN2 at sp3-carbon atom >> Sulfonates and Sulfates",1,"No alert found",0,"H-acceptor-path3-H-acceptor",1]
["41941-56-4","8-chloroadenosine 3',5'-monophosphate","c1(N)c2c(N(C3C(O)C4C(COP(=O)(O)O4)O3)C(Cl)=N2)ncn1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","N/A","YES","Bajic,V Stanimirovic,Z and Stevonovic","Romualdo Benigni","J Arch. Med. Res., 35(3), 209-214","micronucleus assay","Genotoxicity Potential of 8-Cl-Cyclic Adenosine Monophosphate Assessed with Cytogenetic Tests in Vivo","Chromosome aberration","In Vivo",2004,"CCRIS","Mouse","bone marrow cells","Radical|Radical >> ROS formation after GSH depletion|Radical >> ROS formation after GSH depletion >> Aromatic and Heterocyclic Primary Amines|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Aromatic and Heterocyclic Primary Amines|SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"No alert found",0,"Imidazole, benzimidazole (Nongenotox)|Primary aromatic amine,hydroxyl amine and its derived esters (Genotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"SN2|SN2 >> SN2 at sp3-carbon atom|SN2 >> SN2 at sp3-carbon atom >> Alkylphosphates, Alkylthiophosphates and Alkylphosphonates",1,"Primary aromatic amine,hydroxyl amine and its derived esters",1,"H-acceptor-path3-H-acceptor|Oxolane|Primary aromatic amine, hydroxyl amine and its derived esters",1]
["54029-12-8","albendazole oxide","c12c(cc(S(=O)CCC)cc1)N=C(NC(=O)OC)N2","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","Low Quality","NO","Committee on Mutagenicity of Chemicals in Food,Consumer Products and The Environment","Committee on mutagenicity of chemicals in food,consumer products and the environment,Benzimidazoles:an approach to defining a common aneugenic Grouping,COM/07/S3-April 2007",null,"micronucleus assay","Benzimidazoles:An Approach to Defining a Common Aneugenic Grouping, COM/07/S3","Chromosome aberration","In Vivo",2007,null,null,"bone marrow cells","No alert found",0,"No alert found",0,"Alkyl carbamate and thiocarbamate (Genotox)|Imidazole, benzimidazole (Nongenotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"No alert found",0,"Alkyl carbamate and thiocarbamate",1,"Alkyl carbamate and thiocarbamate|H-acceptor-path3-H-acceptor",1]
["54965-21-8","albendazole;methyl [5-(propylsulfanyl)-1h-benzimidazol-2-yl]carbamate;carbamic acid, [5-(propylthio)-1h-benzimidazol-2-yl]-, methyl ester;[5-(propylthio)-1h-benzimidazol-2-yl]carbamic acid, methyl ester;carbamic acid, (5-(propylthio)-1h-benzimidazol-2-yl)-, methyl ester;54965-21-8","c12c(cc(SCCC)cc1)N=C(NC(=O)OC)N2","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO","Committee on Mutagenicity of Chemicals in Food,Consumer Products and The Environment","Committee on mutagenicity of chemicals in food,consumer products and the environment,Benzimidazoles:an approach to defining a common aneugenic Grouping,COM/07/S3-April 2007",null,"micronucleus assay","Benzimidazoles:An Approach to Defining a Common Aneugenic Grouping, COM/07/S3","Chromosome aberration","In Vivo",2007,null,null,"bone marrow cells","No alert found",0,"No alert found",0,"Alkyl carbamate and thiocarbamate (Genotox)|Imidazole, benzimidazole (Nongenotox)|Structural alerts for both genotoxic and nongenotoxic carcinogenicity",1,"No alert found",0,"Alkyl carbamate and thiocarbamate",1,"Alkyl carbamate and thiocarbamate|H-acceptor-path3-H-acceptor",1]
["65884-46-0","cyadox;ciadox;2-cyano-n'-[(e)-(1,4-dioxidoquinoxalin-2-yl)methylidene]acetohydrazide;(2-quinoxalinylmethylene)hydrazine, cyano acetic acid, n,n'-dioxide","c12c(cccc1)n(=O)c(C=NNC(=O)CC#N)cn2=O","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","N/A","YES",null,"Genetic Toxicology Data Bank (GENE-TOX)","Mutat Res 116:129-135","micronucleus assay",null,"Chromosome aberration","In Vivo",1983,"http://toxnet.nlm.nih.gov/cgi-bin/sis/htmlgen?GENETOX","Mammalia","polychromatic erythrocytes","No alert found",0,"No alert found",0,"Aromatic ring N-oxide (Genotox)|Hydrazine (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Aromatic ring N-oxide|Hydrazine",1,"Aromatic ring N-oxide|H-acceptor-path3-H-acceptor|Hydrazine",1]
["66276-51-5","hippeastidine","C123c4c(O)c(OC)c(OC)cc4CN(C1CC(OC)CC2)CC3","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","Low Quality","NO",null,"Genetic Toxicology Data Bank (GENE-TOX)","Bull Environ Contam Toxicol 37:508-512","micronucleus assay",null,"Chromosome aberration","In Vivo",1986,"http://toxnet.nlm.nih.gov/cgi-bin/sis/htmlgen?GENETOX","Mammalia","polychromatic erythrocytes","No alert found",{"$f":"IF(X258=\"No alert found\",0,1)","v":0},"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones|SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",{"$f":"IF(Z258=\"No alert found\",0,1)","v":1},"No alert found",{"$f":"IF(AB258=\"No alert found\",0,1)","v":0},"No alert found",{"$f":"IF(AD258=\"No alert found\",0,1)","v":0},"No alert found",{"$f":"IF(AF258=\"No alert found\",0,1)","v":0},"H-acceptor-path3-H-acceptor",{"$f":"IF(AH258=\"No alert found\",0,1)","v":1}]
["80508-23-2","n'-nitrosonornicotine","c1(C2CCCN2N=O)cccnc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","Low Quality","NO","OECD Environment, Health and Safety Publications, Appendix 2: Genotoxicity and Carcinogenicity Data Sorted by Chemical, 2005, 324-487","OECD Environment, Health and Safety Publications, Appendix 2: Genotoxicity and Carcinogenicity Data Sorted by Chemical, 2005, 324-487",null,"micronucleus assay",null,"Chromosome aberration","In Vivo",2005,"http://www.oecd.org/document/12/,3343,en_2649_34377_1898188_1_1_1_1,.html",null,null,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"SN1|SN1 >> Carbenium Ion Formation|SN1 >> Carbenium Ion Formation >> N-Nitroso (alkylation)|SN2|SN2 >> Nitrosation-SN2|SN2 >> Nitrosation-SN2 >> Nitroso-SN2",1,"Alkyl and aryl N-nitroso groups (Genotox)|Structural alert for genotoxic carcinogenicity",1,"Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitroso compounds|SN1|SN1 >> Carbenium ion formation|SN1 >> Carbenium ion formation >> Nitroso compounds|SN1 >> Glutathione-induced nitrenium ion formation|SN1 >> Glutathione-induced nitrenium ion formation >> Nitroso compounds|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation|SN1 >> Non-enzymatic nitroso radical and/or nirtosonium cation formation >> Nitroso compounds",1,"Alkyl and aryl N-nitroso groups",1,"Alkyl and aryl N-nitroso groups|H-acceptor-path3-H-acceptor",1]
["81943-52-4","5,3',4'-trihydroxy-3,6,7,8-tetramethoxyflavone","C1(OC)C(=O)c2c(O)c(OC)c(OC)c(OC)c2OC=1c1cc(O)c(O)cc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","Low Quality","NO",null,"Genetic Toxicology Data Bank (GENE-TOX)","Mutat Res 119:339-342","micronucleus assay",null,"Chromosome aberration","In Vivo",1983,"http://toxnet.nlm.nih.gov/cgi-bin/sis/htmlgen?GENETOX","Mammalia","polychromatic erythrocytes","No alert found",0,"Michael addition|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals|Michael addition >> P450 Mediated Activation to Quinones and Quinone-type Chemicals >> Hydroquinones",1,"Quercetin type flavonoids (Nongenotox)|Structural alert for nongenotoxic carcinogenicity",1,"No alert found",0,"No alert found",0,"1,3-dialkoxy-benzene|H-acceptor-path3-H-acceptor",1]
["88255-01-0","netobimin","c1(N(=O)=O)c(N=C(NC(=O)OC)NCCS(=O)(=O)O)cc(SCCC)cc1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","N/A","YES","Committee on Mutagenicity of Chemicals in Food,Consumer Products and The Environment","Committee on mutagenicity of chemicals in food,consumer products and the environment,Benzimidazoles:an approach to defining a common aneugenic Grouping,COM/07/S3-April 2007",null,"micronucleus assay","Benzimidazoles:An Approach to Defining a Common Aneugenic Grouping, COM/07/S3","Chromosome aberration","In Vivo",2007,null,null,"bone marrow cells","Radical|Radical >> Radical mechanism by ROS formation|Radical >> Radical mechanism by ROS formation >> Nitro Compounds|SN1|SN1 >> Nitrenium ion formation|SN1 >> Nitrenium ion formation >> Nitro Compounds",1,"SN1|SN1 >> Nitrenium Ion formation|SN1 >> Nitrenium Ion formation >> Aromatic nitro",1,"Alkyl carbamate and thiocarbamate (Genotox)|Structural alert for genotoxic carcinogenicity",1,"No alert found",0,"Alkyl carbamate and thiocarbamate",1,"Alkyl carbamate and thiocarbamate|H-acceptor-path3-H-acceptor|Nitro-aromatic",1]
["153719-23-4","thiamethoxam;4h-1,3,5-oxadiazin-4-imine, 3-[(2-chloro-5-thiazolyl)methyl]tetrahydro-5-methyl-n-nitro-;3-[(2-chloro-5-thiazolyl)methyl]tetrahydro-5-methyl-n-nitro-4h-1,3,5-oxadiazin-4-imine","C1(CN2C(=NN(=O)=O)N(C)COC2)=CN=C(Cl)S1","Positive",null,null,"Chromosome aberration",null,"Human Health Hazards#Genetic Toxicity","Micronucleus Oasis","High Quality","NO","Celik,A Mazmanci,B Camlica,Y Askin,A And And Coemelekoglu,U","Romualdo Benigni","Mutagenesis 20, 125-129","micronucleus assay","Induction Of Micronuclei By Lambda-Cyhaloghrin In Wistar Rat Bone Marrow And Gut Epithelial Cells","Chromosome aberration","In Vivo",2005,"CCRIS","Rat","bone marrow cells","No alert found",0,"SN1|SN1 >> Iminium Ion Formation|SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines",1,"No alert found",0,"No alert found",0,"No alert found",0,"H-acceptor-path3-H-acceptor",1]